Revisit of the relationship between the elastic properties and sound velocities at high pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Chenju; Yan, Xiaozhen; Institute of Atomic and Molecular Sciences, Sichuan University, Chengdu 610065

2014-09-14

The second-order elastic constants and stress-strain coefficients are defined, respectively, as the second derivatives of the total energy and the first derivative of the stress with respect to strain. Since the Lagrangian and infinitesimal strain are commonly used in the two definitions above, the second-order elastic constants and stress-strain coefficients are separated into two categories, respectively. In general, any of the four physical quantities is employed to characterize the elastic properties of materials without differentiation. Nevertheless, differences may exist among them at non-zero pressures, especially high pressures. Having explored the confusing issue systemically in the present work, we find thatmore » the four quantities are indeed different from each other at high pressures and these differences depend on the initial stress applied on materials. Moreover, the various relations between the four quantities depicting elastic properties of materials and high-pressure sound velocities are also derived from the elastic wave equations. As examples, we calculated the high-pressure sound velocities of cubic tantalum and hexagonal rhenium using these nexus. The excellent agreement of our results with available experimental data suggests the general applicability of the relations.« less

Economy-wide material input/output and dematerialization analysis of Jilin Province (China).

PubMed

Li, MingSheng; Zhang, HuiMin; Li, Zhi; Tong, LianJun

2010-06-01

In this paper, both direct material input (DMI) and domestic processed output (DPO) of Jilin Province in 1990-2006 were calculated and then based on these two indexes, a dematerialization model was established. The main results are summarized as follows: (1) both direct material input and domestic processed output increase at a steady rate during 1990-2006, with average annual growth rates of 4.19% and 2.77%, respectively. (2) The average contribution rate of material input to economic growth is 44%, indicating that the economic growth is visibly extensive. (3) During the studied period, accumulative quantity of material input dematerialization is 11,543 x 10(4) t and quantity of waste dematerialization is 5,987 x10(4) t. Moreover, dematerialization gaps are positive, suggesting that the potential of dematerialization has been well fulfilled. (4) In most years of the analyzed period, especially 2003-2006, the economic system of Jilin Province represents an unsustainable state. The accelerated economic growth relies mostly on excessive resources consumption after the Revitalization Strategy of Northeast China was launched.

Density functional calculations on structural materials for nuclear energy applications and functional materials for photovoltaic energy applications (abstract only).

PubMed

Domain, C; Olsson, P; Becquart, C S; Legris, A; Guillemoles, J F

2008-02-13

Ab initio density functional theory calculations are carried out in order to predict the evolution of structural materials under aggressive working conditions such as cases with exposure to corrosion and irradiation, as well as to predict and investigate the properties of functional materials for photovoltaic energy applications. Structural metallic materials used in nuclear facilities are subjected to irradiation which induces the creation of large amounts of point defects. These defects interact with each other as well as with the different elements constituting the alloys, which leads to modifications of the microstructure and the mechanical properties. VASP (Vienna Ab initio Simulation Package) has been used to determine the properties of point defect clusters and also those of extended defects such as dislocations. The resulting quantities, such as interaction energies and migration energies, are used in larger scale simulation methods in order to build predictive tools. For photovoltaic energy applications, ab initio calculations are used in order to search for new semiconductors and possible element substitutions for existing ones in order to improve their efficiency.

6 CFR 27.203 - Calculating the screening threshold quantity by security issue.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 6 Domestic Security 1 2012-01-01 2012-01-01 false Calculating the screening threshold quantity by security issue. 27.203 Section 27.203 Domestic Security DEPARTMENT OF HOMELAND SECURITY, OFFICE OF THE... the screening threshold quantity by security issue. (a) General. In calculating whether a facility...

Nonequilibrium thermodynamics of dilute polymer solutions in flow.

PubMed

Latinwo, Folarin; Hsiao, Kai-Wen; Schroeder, Charles M

2014-11-07

Modern materials processing applications and technologies often occur far from equilibrium. To this end, the processing of complex materials such as polymer melts and nanocomposites generally occurs under strong deformations and flows, conditions under which equilibrium thermodynamics does not apply. As a result, the ability to determine the nonequilibrium thermodynamic properties of polymeric materials from measurable quantities such as heat and work is a major challenge in the field. Here, we use work relations to show that nonequilibrium thermodynamic quantities such as free energy and entropy can be determined for dilute polymer solutions in flow. In this way, we determine the thermodynamic properties of DNA molecules in strong flows using a combination of simulations, kinetic theory, and single molecule experiments. We show that it is possible to calculate polymer relaxation timescales purely from polymer stretching dynamics in flow. We further observe a thermodynamic equivalence between nonequilibrium and equilibrium steady-states for polymeric systems. In this way, our results provide an improved understanding of the energetics of flowing polymer solutions.

Characteristics and Generation of Household Hazardous Waste (HHW) in Semarang City Indonesia

NASA Astrophysics Data System (ADS)

Fikri, Elanda; Purwanto; Sunoko, Henna Rya

2018-02-01

Most of Household Hazardous Waste (HHW) is currently mixed with domestics waste. So that, it can impact human health and environmental quality. One important aspect in the management strategy is to determine the quantity generated and characteristics of HHW. The method used to determine the characteristics HHW refers to SNI 19-2454-2002, while the HHW generation refers to the SNI 19-3694-1994 calculated based on weight and volume. Research was conducted in four districts of Semarang. The samples used in this study were 400 families calculated based on the proportion of Slovin Formula. The characteristic of HHW in Semarang City is mainly infectious (79%), then poisonous (13%), combustible (6%) and corrosive materials (2%). The quantity HHW generated is 0.01 kg/person/day equivalent with 5.1% of municipal solid waste (MSW) in Semarang (linear equations : y=1,278x+82,00 (volume), y=0,216x+13,89 (weight).

PACKAGING CERTIFICATION PROGRAM METHODOLOGY FOR DETERMINING DOSE RATES FOR SMALL GRAM QUANTITIES IN SHIPPING PACKAGINGS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nathan, S.; Loftin, B.; Abramczyk, G.

The Small Gram Quantity (SGQ) concept is based on the understanding that small amounts of hazardous materials, in this case radioactive materials (RAM), are significantly less hazardous than large amounts of the same materials. This paper describes a methodology designed to estimate an SGQ for several neutron and gamma emitting isotopes that can be shipped in a package compliant with 10 CFR Part 71 external radiation level limits regulations. These regulations require packaging for the shipment of radioactive materials, under both normal and accident conditions, to perform the essential functions of material containment, subcriticality, and maintain external radiation levels withinmore » the specified limits. By placing the contents in a helium leak-tight containment vessel, and limiting the mass to ensure subcriticality, the first two essential functions are readily met. Some isotopes emit sufficiently strong photon radiation that small amounts of material can yield a large dose rate outside the package. Quantifying the dose rate for a proposed content is a challenging issue for the SGQ approach. It is essential to quantify external radiation levels from several common gamma and neutron sources that can be safely placed in a specific packaging, to ensure compliance with federal regulations. The Packaging Certification Program (PCP) Methodology for Determining Dose Rate for Small Gram Quantities in Shipping Packagings provides bounding shielding calculations that define mass limits compliant with 10 CFR 71.47 for a set of proposed SGQ isotopes. The approach is based on energy superposition with dose response calculated for a set of spectral groups for a baseline physical packaging configuration. The methodology includes using the MCNP radiation transport code to evaluate a family of neutron and photon spectral groups using the 9977 shipping package and its associated shielded containers as the base case. This results in a set of multipliers for 'dose per particle' for each spectral group. For a given isotope, the source spectrum is folded with the response for each group. The summed contribution from all isotopes determines the total dose from the RAM in the container.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pritychenko, B.; Mughabghab, S.F.

We present calculations of neutron thermal cross sections, Westcott factors, resonance integrals, Maxwellian-averaged cross sections and astrophysical reaction rates for 843 ENDF materials using data from the major evaluated nuclear libraries and European activation file. Extensive analysis of newly-evaluated neutron reaction cross sections, neutron covariances, and improvements in data processing techniques motivated us to calculate nuclear industry and neutron physics quantities, produce s-process Maxwellian-averaged cross sections and astrophysical reaction rates, systematically calculate uncertainties, and provide additional insights on currently available neutron-induced reaction data. Nuclear reaction calculations are discussed and new results are presented. Due to space limitations, the present papermore » contains only calculated Maxwellian-averaged cross sections and their uncertainties. The complete data sets for all results are published in the Brookhaven National Laboratory report.« less

Novel approach for calculating the charge carrier mobility and Hall factor for semiconductor materials

NASA Astrophysics Data System (ADS)

Colibaba, G. V.

2018-06-01

The additive Matthiessen's rule is the simplest and most widely used rule for the rapid experimental characterization and modeling of the charge carrier mobility. However, the error when using this rule can be higher than 40% and the contribution of the assumed additional scattering channels due to the difference between the experimental data and results calculated based on this rule can be misestimated by several times. In this study, a universal semi-additive equation is proposed for the total mobility and Hall factor, which is applicable to any quantity of scattering mechanisms, where it considers the energy dependence of the relaxation time and the error is 10-20 times lower compared with Matthiessen's rule. Calculations with accuracy of 99% are demonstrated for materials with polar-optical phonon, acoustic phonon via the piezoelectric potential, ionized, and neutral impurity scattering. The proposed method is extended to the deformation potential, dislocation, localized defect, alloy potential, and dipole scattering, for nondegenerate and partially degenerate materials.

Energy Referencing in LANL HE-EOS Codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leiding, Jeffery Allen; Coe, Joshua Damon

2017-10-19

Here, We briefly describe the choice of energy referencing in LANL's HE-EOS codes, HEOS and MAGPIE. Understanding this is essential to comparing energies produced by different EOS codes, as well as to the correct calculation of shock Hugoniots of HEs and other materials. In all equations after (3) throughout this report, all energies, enthalpies and volumes are assumed to be molar quantities.

almaBTE : A solver of the space-time dependent Boltzmann transport equation for phonons in structured materials

NASA Astrophysics Data System (ADS)

Carrete, Jesús; Vermeersch, Bjorn; Katre, Ankita; van Roekeghem, Ambroise; Wang, Tao; Madsen, Georg K. H.; Mingo, Natalio

2017-11-01

almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals and alloys, thin films, superlattices, and multiscale structures with size features in the nm- μm range. Among many other quantities, the program can output thermal conductances and effective thermal conductivities, space-resolved average temperature profiles, and heat-current distributions resolved in frequency and space. Its first-principles character makes almaBTE especially well suited to investigate novel materials and structures. This article gives an overview of the program structure and presents illustrative examples for some of its uses. PROGRAM SUMMARY Program Title:almaBTE Program Files doi:http://dx.doi.org/10.17632/8tfzwgtp73.1 Licensing provisions: Apache License, version 2.0 Programming language: C++ External routines/libraries: BOOST, MPI, Eigen, HDF5, spglib Nature of problem: Calculation of temperature profiles, thermal flux distributions and effective thermal conductivities in structured systems where heat is carried by phonons Solution method: Solution of linearized phonon Boltzmann transport equation, Variance-reduced Monte Carlo

Electronic Structure Calculation of Permanent Magnets using the KKR Green's Function Method

NASA Astrophysics Data System (ADS)

Doi, Shotaro; Akai, Hisazumi

2014-03-01

Electronic structure and magnetic properties of permanent magnetic materials, especially Nd2Fe14B, are investigated theoretically using the KKR Green's function method. Important physical quantities in magnetism, such as magnetic moment, Curie temperature, and anisotropy constant, which are obtained from electronics structure calculations in both cases of atomic-sphere-approximation and full-potential treatment, are compared with past band structure calculations and experiments. The site preference of heavy rare-earth impurities are also evaluated through the calculation of formation energy with the use of coherent potential approximations. Further, the development of electronic structure calculation code using the screened KKR for large super-cells, which is aimed at studying the electronic structure of realistic microstructures (e.g. grain boundary phase), is introduced with some test calculations.

Mathematical model of whole-process calculation for bottom-blowing copper smelting

NASA Astrophysics Data System (ADS)

Li, Ming-zhou; Zhou, Jie-min; Tong, Chang-ren; Zhang, Wen-hai; Li, He-song

2017-11-01

The distribution law of materials in smelting products is key to cost accounting and contaminant control. Regardless, the distribution law is difficult to determine quickly and accurately by mere sampling and analysis. Mathematical models for material and heat balance in bottom-blowing smelting, converting, anode furnace refining, and electrolytic refining were established based on the principles of material (element) conservation, energy conservation, and control index constraint in copper bottom-blowing smelting. Simulation of the entire process of bottom-blowing copper smelting was established using a self-developed MetCal software platform. A whole-process simulation for an enterprise in China was then conducted. Results indicated that the quantity and composition information of unknown materials, as well as heat balance information, can be quickly calculated using the model. Comparison of production data revealed that the model can basically reflect the distribution law of the materials in bottom-blowing copper smelting. This finding provides theoretical guidance for mastering the performance of the entire process.

6 CFR 27.203 - Calculating the screening threshold quantity by security issue.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 6 Domestic Security 1 2014-01-01 2014-01-01 false Calculating the screening threshold quantity by security issue. 27.203 Section 27.203 Domestic Security DEPARTMENT OF HOMELAND SECURITY, OFFICE OF THE SECRETARY CHEMICAL FACILITY ANTI-TERRORISM STANDARDS Chemical Facility Security Program § 27.203 Calculating the screening threshold quantity by...

6 CFR 27.203 - Calculating the screening threshold quantity by security issue.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 6 Domestic Security 1 2011-01-01 2011-01-01 false Calculating the screening threshold quantity by security issue. 27.203 Section 27.203 Domestic Security DEPARTMENT OF HOMELAND SECURITY, OFFICE OF THE SECRETARY CHEMICAL FACILITY ANTI-TERRORISM STANDARDS Chemical Facility Security Program § 27.203 Calculating the screening threshold quantity by...

6 CFR 27.203 - Calculating the screening threshold quantity by security issue.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 6 Domestic Security 1 2013-01-01 2013-01-01 false Calculating the screening threshold quantity by security issue. 27.203 Section 27.203 Domestic Security DEPARTMENT OF HOMELAND SECURITY, OFFICE OF THE SECRETARY CHEMICAL FACILITY ANTI-TERRORISM STANDARDS Chemical Facility Security Program § 27.203 Calculating the screening threshold quantity by...

6 CFR 27.203 - Calculating the screening threshold quantity by security issue.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 6 Domestic Security 1 2010-01-01 2010-01-01 false Calculating the screening threshold quantity by security issue. 27.203 Section 27.203 Domestic Security DEPARTMENT OF HOMELAND SECURITY, OFFICE OF THE SECRETARY CHEMICAL FACILITY ANTI-TERRORISM STANDARDS Chemical Facility Security Program § 27.203 Calculating the screening threshold quantity by...

Feynman variance for neutrons emitted from photo-fission initiated fission chains - a systematic simulation for selected speacal nuclear materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soltz, R. A.; Danagoulian, A.; Sheets, S.

Theoretical calculations indicate that the value of the Feynman variance, Y2F for the emitted distribution of neutrons from ssionable exhibits a strong monotonic de- pendence on a the multiplication, M, of a quantity of special nuclear material. In 2012 we performed a series of measurements at the Passport Inc. facility using a 9- MeV bremsstrahlung CW beam of photons incident on small quantities of uranium with liquid scintillator detectors. For the set of objects studies we observed deviations in the expected monotonic dependence, and these deviations were later con rmed by MCNP simulations. In this report, we modify the theorymore » to account for the contri- bution from the initial photo- ssion and benchmark the new theory with a series of MCNP simulations on DU, LEU, and HEU objects spanning a wide range of masses and multiplication values.« less

Advances in first-principles calculations of thermodynamic properties of planetary materials (Invited)

NASA Astrophysics Data System (ADS)

Wilson, H. F.

2013-12-01

First-principles atomistic simulation is a vital tool for understanding the properties of materials at the high-pressure high-temperature conditions prevalent in giant planet interiors, but properties such as solubility and phase boundaries are dependent on entropy, a quantity not directly accessible in simulation. Determining entropic properties from atomistic simulations is a difficult problem typically requiring a time-consuming integration over molecular dynamics trajectories. Here I will describe recent advances in first-principles thermodynamic calculations which substantially increase the simplicity and efficiency of thermodynamic integration and make entropic properties more readily accessible. I will also describe the use of first-principles thermodynamic calculations for understanding problems including core solubility in gas giants and superionic phase changes in ice giants, as well as future prospects for combining first-principles thermodynamics with planetary-scale models to help us understand the origin and consequences of compositional inhomogeneity in giant planet interiors.

Explosion Hazards Associated with Spills of Large Quantities of Hazardous Materials. Phase I

DTIC Science & Technology

1974-10-01

quantities of hazardous material such as liquified natural gas ( LNG ), liquified petroleum gils (LPG), or ethylene. The principal results are (1) a...associated with spills of large quantities of hazardous material such as liquified natural gas ( LNG ), liquified petroleum gas (LPG), or ethylene. The...liquified natural gas ( LNG ). Unfortunately, as the quantity of material shipped at one time increases, so does the potential hazard associated with

10 CFR 40.22 - Small quantities of source material.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Small quantities of source material. 40.22 Section 40.22 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC LICENSING OF SOURCE MATERIAL General Licenses § 40.22 Small quantities of source material. (a) A general license is hereby issued authorizing commercial and industrial...

77 FR 60334 - New Marking Standards for Parcels Containing Hazardous Materials

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-03

... substances, certain patient specimens and certain radioactive materials as noted in section 135 of Mailing... due to its form, quantity, and packaging. Not all hazardous materials permitted to be shipped as a... mailable limited quantity materials that meet USPS quantity limitations and packaging requirements. All...

10 CFR 73.72 - Requirement for advance notice of shipment of formula quantities of strategic special nuclear...

Code of Federal Regulations, 2012 CFR

2012-01-01

... quantities of strategic special nuclear material, special nuclear material of moderate strategic significance, or irradiated reactor fuel. 73.72 Section 73.72 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED... shipment of formula quantities of strategic special nuclear material, special nuclear material of moderate...

Calculations of Nuclear Astrophysics and Californium Fission Neutron Spectrum Averaged Cross Section Uncertainties Using ENDF/B-VII.1, JEFF-3.1.2, JENDL-4.0 and Low-fidelity Covariances

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pritychenko, B., E-mail: pritychenko@bnl.gov

Nuclear astrophysics and californium fission neutron spectrum averaged cross sections and their uncertainties for ENDF materials have been calculated. Absolute values were deduced with Maxwellian and Mannhart spectra, while uncertainties are based on ENDF/B-VII.1, JEFF-3.1.2, JENDL-4.0 and Low-Fidelity covariances. These quantities are compared with available data, independent benchmarks, EXFOR library, and analyzed for a wide range of cases. Recommendations for neutron cross section covariances are given and implications are discussed.

Shock waves simulated using the dual domain material point method combined with molecular dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Duan Z.; Dhakal, Tilak Raj

Here in this work we combine the dual domain material point method with molecular dynamics in an attempt to create a multiscale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically nonequilibrium state, and conventional constitutive relations or equations of state are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a molecular dynamics simulation of a group of atoms surrounding the material point. Rather than restricting the multiscale simulation in a small spatial region,more » such as phase interfaces, or crack tips, this multiscale method can be used to consider nonequilibrium thermodynamic effects in a macroscopic domain. This method takes the advantage that the material points only communicate with mesh nodes, not among themselves; therefore molecular dynamics simulations for material points can be performed independently in parallel. The dual domain material point method is chosen for this multiscale method because it can be used in history dependent problems with large deformation without generating numerical noise as material points move across cells, and also because of its convergence and conservation properties. In conclusion, to demonstrate the feasibility and accuracy of this method, we compare the results of a shock wave propagation in a cerium crystal calculated using the direct molecular dynamics simulation with the results from this combined multiscale calculation.« less

Shock waves simulated using the dual domain material point method combined with molecular dynamics

DOE PAGES

Zhang, Duan Z.; Dhakal, Tilak Raj

2017-01-17

Here in this work we combine the dual domain material point method with molecular dynamics in an attempt to create a multiscale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically nonequilibrium state, and conventional constitutive relations or equations of state are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a molecular dynamics simulation of a group of atoms surrounding the material point. Rather than restricting the multiscale simulation in a small spatial region,more » such as phase interfaces, or crack tips, this multiscale method can be used to consider nonequilibrium thermodynamic effects in a macroscopic domain. This method takes the advantage that the material points only communicate with mesh nodes, not among themselves; therefore molecular dynamics simulations for material points can be performed independently in parallel. The dual domain material point method is chosen for this multiscale method because it can be used in history dependent problems with large deformation without generating numerical noise as material points move across cells, and also because of its convergence and conservation properties. In conclusion, to demonstrate the feasibility and accuracy of this method, we compare the results of a shock wave propagation in a cerium crystal calculated using the direct molecular dynamics simulation with the results from this combined multiscale calculation.« less

Impact of the neutron detector choice on Bell and Glasstone spatial correction factor for subcriticality measurement

NASA Astrophysics Data System (ADS)

Talamo, Alberto; Gohar, Y.; Cao, Y.; Zhong, Z.; Kiyavitskaya, H.; Bournos, V.; Fokov, Y.; Routkovskaya, C.

2012-03-01

In subcritical assemblies, the Bell and Glasstone spatial correction factor is used to correct the measured reactivity from different detector positions. In addition to the measuring position, several other parameters affect the correction factor: the detector material, the detector size, and the energy-angle distribution of source neutrons. The effective multiplication factor calculated by computer codes in criticality mode slightly differs from the average value obtained from the measurements in the different experimental channels of the subcritical assembly, which are corrected by the Bell and Glasstone spatial correction factor. Generally, this difference is due to (1) neutron counting errors; (2) geometrical imperfections, which are not simulated in the calculational model, and (3) quantities and distributions of material impurities, which are missing from the material definitions. This work examines these issues and it focuses on the detector choice and the calculation methodologies. The work investigated the YALINA Booster subcritical assembly of Belarus, which has been operated with three different fuel enrichments in the fast zone either: high (90%) and medium (36%), medium (36%), or low (21%) enriched uranium fuel.

10 CFR 40.13 - Unimportant quantities of source material.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Unimportant quantities of source material. 40.13 Section 40.13 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC LICENSING OF SOURCE MATERIAL Exemptions § 40.13 Unimportant quantities of source material. (a) Any person is exempt from the regulations in this part and from...

An ab initio electronic transport database for inorganic materials.

PubMed

Ricci, Francesco; Chen, Wei; Aydemir, Umut; Snyder, G Jeffrey; Rignanese, Gian-Marco; Jain, Anubhav; Hautier, Geoffroy

2017-07-04

Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material's band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present the workflow to generate the data, the data validation procedure, and the database structure. Our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.

A Market Model for Evaluating Technologies That Impact Critical-Material Intensity

NASA Astrophysics Data System (ADS)

Iyer, Ananth V.; Vedantam, Aditya

2016-07-01

A recent Critical Materials Strategy report highlighted the supply chain risk associated with neodymium and dysprosium, which are used in the manufacturing of neodymium-iron-boron permanent magnets (PM). In response, the Critical Materials Institute is developing innovative strategies to increase and diversify primary production, develop substitutes, reduce material intensity and recycle critical materials. Our goal in this paper is to propose an economic model to quantify the impact of one of these strategies, material intensity reduction. Technologies that reduce material intensity impact the economics of magnet manufacturing in multiple ways because of: (1) the lower quantity of critical material required per unit PM, (2) more efficient use of limited supply, and (3) the potential impact on manufacturing cost. However, the net benefit of these technologies to a magnet manufacturer is an outcome of an internal production decision subject to market demand characteristics, availability and resource constraints. Our contribution in this paper shows how a manufacturer's production economics moves from a region of being supply-constrained, to a region enabling the market optimal production quantity, to a region being constrained by resources other than critical materials, as the critical material intensity changes. Key insights for engineers and material scientists are: (1) material intensity reduction can have a significant market impact, (2) benefits to manufacturers are non-linear in the material intensity reduction, (3) there exists a threshold value for material intensity reduction that can be calculated for any target PM application, and (4) there is value for new intellectual property (IP) when existing manufacturing technology is IP-protected.

The studies on gas adsorption properties of MIL-53 series MOFs materials

NASA Astrophysics Data System (ADS)

Jiao, Yuqiu; Li, Zhenyu; Ma, Yue; Zhou, Guanggang; Wang, Shuangxi; Lu, Guiwu

2017-08-01

Molecular dynamics (MD), grand canonical Monte Carlo (GCMC) and ideal adsorbed solution theory (IAST) were used to study the structures and gas adsorption properties of MIL-53(M)[M=Cr, Fe, Sc, Al] metal organic framework (MOF) materials. The results show that the volumes of those MOF materials increase significantly at high temperature. By analyzing the adsorption isotherms, we found that the temperature had a paramount effect on the gas adsorption behaviors of these MOF materials. For MIL-53(Cr), the orders of the quantities of adsorbed gases were CH4>N2>CO2>H2S, CH4>H2S>CO2>N2 and CH4>CO2>H2S>N2 at 100K, 293K and 623K, respectively. We also calculated the adsorption of several combinations of two gases by MIL-53(Cr) at 293K, the results indicate that the material had selective adsorption of CH4 over CO2, H2S and N2. Our calculations provide microscopic insights into the gas adsorption performances of these MOFs and may further guide the practice of gas separation.

Effects of Chemistry on Blunt-Body Wake Structure

NASA Technical Reports Server (NTRS)

Dogra, Virendra K.; Moss, James N.; Wilmoth, Richard G.; Taylor, Jeff C.; Hassan, H. A.

1995-01-01

Results of a numerical study are presented for hypersonic low-density flow about a 70-deg blunt cone using direct simulation Monte Carlo (DSMC) and Navier-Stokes calculations. Particular emphasis is given to the effects of chemistry on the near-wake structure and on the surface quantities and the comparison of the DSMC results with the Navier-Stokes calculations. The flow conditions simulated are those experienced by a space vehicle at an altitude of 85 km and a velocity of 7 km/s during Earth entry. A steady vortex forms in the near wake for these freestream conditions for both chemically reactive and nonreactive air gas models. The size (axial length) of the vortex for the reactive air calculations is 25% larger than that of the nonreactive air calculations. The forebody surface quantities are less sensitive to the chemistry than the base surface quantities. The presence of the afterbody has no effect on the forebody flow structure or the surface quantities. The comparisons of DSMC and Navier-Stokes calculations show good agreement for the wake structure and the forebody surface quantities.

Compaction Behavior of Granular Materials

NASA Astrophysics Data System (ADS)

Endicott, Mark R.; Kenkre, V. M.; Glass, S. Jill; Hurd, Alan J.

1996-03-01

We report the results of our recent study of compaction of granular materials. A theoretical model is developed for the description of the compaction of granular materials exemplified by granulated ceramic powders. Its predictions are compared to observations of uniaxial compaction tests of ceramic granules of PMN-PT, spray dried alumina and rutile. The theoretical model employs a volume-based statistical mechanics treatment and an activation analogy. Results of a computer simulation of random packing of discs in two dimensions are also reported. The effect of type of particle size distribution and other parameters of that distribution on the calculated quantities are discussed. We examine the implications of the results of the simulation for the theoretical model.

Unleashing Empirical Equations with "Nonlinear Fitting" and "GUM Tree Calculator"

NASA Astrophysics Data System (ADS)

Lovell-Smith, J. W.; Saunders, P.; Feistel, R.

2017-10-01

Empirical equations having large numbers of fitted parameters, such as the international standard reference equations published by the International Association for the Properties of Water and Steam (IAPWS), which form the basis of the "Thermodynamic Equation of Seawater—2010" (TEOS-10), provide the means to calculate many quantities very accurately. The parameters of these equations are found by least-squares fitting to large bodies of measurement data. However, the usefulness of these equations is limited since uncertainties are not readily available for most of the quantities able to be calculated, the covariance of the measurement data is not considered, and further propagation of the uncertainty in the calculated result is restricted since the covariance of calculated quantities is unknown. In this paper, we present two tools developed at MSL that are particularly useful in unleashing the full power of such empirical equations. "Nonlinear Fitting" enables propagation of the covariance of the measurement data into the parameters using generalized least-squares methods. The parameter covariance then may be published along with the equations. Then, when using these large, complex equations, "GUM Tree Calculator" enables the simultaneous calculation of any derived quantity and its uncertainty, by automatic propagation of the parameter covariance into the calculated quantity. We demonstrate these tools in exploratory work to determine and propagate uncertainties associated with the IAPWS-95 parameters.

Modeling of thermal lensing in side and end-pumped finite solid-state laser rods. M.S. Thesis

NASA Technical Reports Server (NTRS)

Brackett, Vincent G.

1990-01-01

An analytical expression for approximating the time-dependent thermal focal length in finite solid state laser rods was derived. The analysis is based on the temperature variation of the material refractive index caused by optical pumping of these rods. Several quantities were found to be relevant to this analysis. These quantities were the specific thermal profiles of the rods, type of optical pumping employed, type of cooling scheme employed (side and end-cooling parameters), and the specific material characteristics of the rods. The Thermal Lensing Model was formulated using the geometric ray tracing approach. The focal lengths are then approximated, by calculating the phase shift in the index of refraction, as the different rays of an incident plane wave are tracked through a lens-like crystal medium. The approach also applies in the case of Gaussian or parabolic pump beams. It is shown that the prediction of thermal focal length is in good quantitative agreement with experimentally obtained data.

Designing Business System Model using System Modeling Approach to the Small and Medium Enterprises (SME) of Furniture in Indonesia

NASA Astrophysics Data System (ADS)

Sukendar, Irwan; Fatmawati, Wiwiek; Much Ibnu Subroto, Imam; Arigama, Rizki

2017-04-01

This paper studies the design of business system model with System Modeling Approach on small and medium enterprises (SMEs) of furniture. Methods used consists of five phases: phase of identification of business processes actual on SMEs of Furniture, phase of identification of deficiencies and improvement of business processes, phase of design algorithm and flowchart business processes, phase of analysis of the elements of the system, and phase of the design of data flow diagram (DFD), The results of the analysis of the elements of the system are: Products and quantities ordered product consumers and DP paid by consumers identified as elements of system inputs 1,2 and 3. The result of the calculation, payment slips and mail order (SO) are identified as elements of system output 1, 2 and 3. Acceptance of orders, stocks checking of raw materials at the warehouse, calculating raw material requirements, adequacy of raw materials, the price of the contract, and the due date, as well as the submission of the results of calculations to consumers were identified as elements of system components 1, 2, 3, and 4. Admin taking orders, Admin check stocks of raw materials at the warehouse, Admin making calculation, and Admin convey the results of calculations to consumers were identified as an element of interaction system 1, 2, 3, and 4. Consumers were identified as element of environmental systems. Moreover, the boundary between SMEs and consumers were identified as elements of the system boundary.

Deterministic photon bias in speckle imaging

NASA Technical Reports Server (NTRS)

Beletic, James W.

1989-01-01

A method for determining photo bias terms in speckle imaging is presented, and photon bias is shown to be a deterministic quantity that can be calculated without the use of the expectation operator. The quantities obtained are found to be identical to previous results. The present results have extended photon bias calculations to the important case of the bispectrum where photon events are assigned different weights, in which regime the bias is a frequency dependent complex quantity that must be calculated for each frame.

New approach for absolute fluence distribution calculations in Monte Carlo simulations of light propagation in turbid media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Böcklin, Christoph, E-mail: boecklic@ethz.ch; Baumann, Dirk; Fröhlich, Jürg

A novel way to attain three dimensional fluence rate maps from Monte-Carlo simulations of photon propagation is presented in this work. The propagation of light in a turbid medium is described by the radiative transfer equation and formulated in terms of radiance. For many applications, particularly in biomedical optics, the fluence rate is a more useful quantity and directly derived from the radiance by integrating over all directions. Contrary to the usual way which calculates the fluence rate from absorbed photon power, the fluence rate in this work is directly calculated from the photon packet trajectory. The voxel based algorithmmore » works in arbitrary geometries and material distributions. It is shown that the new algorithm is more efficient and also works in materials with a low or even zero absorption coefficient. The capabilities of the new algorithm are demonstrated on a curved layered structure, where a non-scattering, non-absorbing layer is sandwiched between two highly scattering layers.« less

Surface-enhanced Raman spectroscopy of hexabenzobenzene, C24H12, an analogue of a graphene nanostructure

NASA Astrophysics Data System (ADS)

Owens, Frank J.

2018-05-01

While large scale fabrication of graphene nanoribbons remains a challenge, there exist materials which can be fabricated in quantities such as hexabenzobenzene,HBZB, (C24H12) and which have a two-dimensional (2D) carbon structure similar to graphene nanostructures. Using a 632 nm laser, no Raman spectra could be obtained from the solid material because of a strong luminescence produced by the laser. However, surface-enhanced Raman spectroscopy enabled the measurement of some of the Raman active modes. The G and D modes, which are characteristic fingerprints of a 2D graphene structure, were observed at 1331 and 1600 cm-1, respectively. Density functional theory at the B3LYP/6-31G* level was used to calculate the minimum energy structure and the Raman active vibrational frequencies of HBZB. The calculated minimum energy structure was 2D having D6h symmetry in agreement with the experimental structure in the liquid phase. The calculated frequencies were in good agreement with the measured values.

Application of sensitivity-analysis techniques to the calculation of topological quantities

NASA Astrophysics Data System (ADS)

Gilchrist, Stuart

2017-08-01

Magnetic reconnection in the corona occurs preferentially at sites where the magnetic connectivity is either discontinuous or has a large spatial gradient. Hence there is a general interest in computing quantities (like the squashing factor) that characterize the gradient in the field-line mapping function. Here we present an algorithm for calculating certain (quasi)topological quantities using mathematical techniques from the field of ``sensitivity-analysis''. The method is based on the calculation of a three dimensional field-line mapping Jacobian from which all the present topological quantities of interest can be derived. We will present the algorithm and the details of a publicly available set of libraries that implement the algorithm.

Case study: Is the 'catch-all-plastics bin' useful in unlocking the hidden resource potential in the residual waste collection system?

PubMed

Kranzinger, Lukas; Schopf, Kerstin; Pomberger, Roland; Punesch, Elisabeth

2017-02-01

Austria's performance in the collection of separated waste is adequate. However, the residual waste still contains substantial amounts of recyclable materials - for example, plastics, paper and board, glass and composite packaging. Plastics (lightweight packaging and similar non-packaging materials) are detected at an average mass content of 13% in residual waste. Despite this huge potential, only 3% of the total amount of residual waste (1,687,000 t y -1 ) is recycled. This implies that most of the recyclable materials contained in the residual waste are destined for thermal recovery and are lost for recycling. This pilot project, commissioned by the Land of Lower Austria, applied a holistic approach, unique in Europe, to the Lower Austrian waste management system. It aims to transfer excess quantities of plastic packaging and non-packaging recyclables from the residual waste system to the separately collected waste system by introducing a so-called 'catch-all-plastics bin'. A quantity flow model was constructed and the results showed a realistic increase in the amount of plastics collected of 33.9 wt%. This equals a calculated excess quantity of 19,638 t y -1 . The increased plastics collection resulted in a positive impact on the climate footprint (CO 2 equivalent) in line with the targets of EU Directive 94/62/EG (Circular Economy Package) and its Amendments. The new collection system involves only moderate additional costs.

10 CFR 76.113 - Formula quantities of strategic special nuclear material-Category I.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 2 2012-01-01 2012-01-01 false Formula quantities of strategic special nuclear material-Category I. 76.113 Section 76.113 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safeguards and Security § 76.113 Formula quantities of strategic special nuclear material...

10 CFR 76.113 - Formula quantities of strategic special nuclear material-Category I.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false Formula quantities of strategic special nuclear material-Category I. 76.113 Section 76.113 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safeguards and Security § 76.113 Formula quantities of strategic special nuclear material...

10 CFR 76.113 - Formula quantities of strategic special nuclear material-Category I.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 2 2013-01-01 2013-01-01 false Formula quantities of strategic special nuclear material-Category I. 76.113 Section 76.113 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safeguards and Security § 76.113 Formula quantities of strategic special nuclear material...

10 CFR 76.113 - Formula quantities of strategic special nuclear material-Category I.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Formula quantities of strategic special nuclear material-Category I. 76.113 Section 76.113 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safeguards and Security § 76.113 Formula quantities of strategic special nuclear material...

10 CFR 76.113 - Formula quantities of strategic special nuclear material-Category I.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 2 2014-01-01 2014-01-01 false Formula quantities of strategic special nuclear material-Category I. 76.113 Section 76.113 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safeguards and Security § 76.113 Formula quantities of strategic special nuclear material...

27 CFR 24.242 - Authority to use greater quantities of decolorizing material in juice or wine.

Code of Federal Regulations, 2010 CFR

2010-04-01

... quantities of decolorizing material in juice or wine. 24.242 Section 24.242 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY LIQUORS WINE Storage, Treatment and Finishing of Wine § 24.242 Authority to use greater quantities of decolorizing material in...

10 CFR Appendix C to Part 20 - Quantities 1 of Licensed Material Requiring Labeling

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 1 2014-01-01 2014-01-01 false Quantities 1 of Licensed Material Requiring Labeling C Appendix C to Part 20 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION Pt. 20, App. C Appendix C to Part 20—Quantities 1 of Licensed Material Requiring Labeling Radionuclide...

10 CFR Appendix C to Part 20 - Quantities 1 of Licensed Material Requiring Labeling

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 1 2013-01-01 2013-01-01 false Quantities 1 of Licensed Material Requiring Labeling C Appendix C to Part 20 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION Pt. 20, App. C Appendix C to Part 20—Quantities 1 of Licensed Material Requiring Labeling Radionuclide...

10 CFR Appendix C to Part 20 - Quantities 1 of Licensed Material Requiring Labeling

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Quantities 1 of Licensed Material Requiring Labeling C Appendix C to Part 20 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION Pt. 20, App. C Appendix C to Part 20—Quantities 1 of Licensed Material Requiring Labeling Radionuclide...

10 CFR Appendix C to Part 20 - Quantities 1 of Licensed Material Requiring Labeling

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Quantities 1 of Licensed Material Requiring Labeling C Appendix C to Part 20 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION Pt. 20, App. C Appendix C to Part 20—Quantities 1 of Licensed Material Requiring Labeling Radionuclide...

An ab initio electronic transport database for inorganic materials

DOE PAGES

Ricci, Francesco; Chen, Wei; Aydemir, Umut; ...

2017-07-04

Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material’s band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present themore » workflow to generate the data, the data validation procedure, and the database structure. In conclusion, our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.« less

An ab initio electronic transport database for inorganic materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ricci, Francesco; Chen, Wei; Aydemir, Umut

Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material’s band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present themore » workflow to generate the data, the data validation procedure, and the database structure. In conclusion, our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.« less

Experimental Investigation of InSight HP3 Mole Interaction with Martian Regolith Simulant. Quasi-Static and Dynamic Penetration Testing

NASA Astrophysics Data System (ADS)

Marshall, Jason P.; Hudson, Troy L.; Andrade, José E.

2017-10-01

The InSight mission launches in 2018 to characterize several geophysical quantities on Mars, including the heat flow from the planetary interior. This quantity will be calculated by utilizing measurements of the thermal conductivity and the thermal gradient down to 5 meters below the Martian surface. One of the components of InSight is the Mole, which hammers into the Martian regolith to facilitate these thermal property measurements. In this paper, we experimentally investigated the effect of the Mole's penetrating action on regolith compaction and mechanical properties. Quasi-static and dynamic experiments were run with a 2D model of the 3D cylindrical mole. Force resistance data was captured with load cells. Deformation information was captured in images and analyzed using Digitial Image Correlation (DIC). Additionally, we used existing approximations of Martian regolith thermal conductivity to estimate the change in the surrounding granular material's thermal conductivity due to the Mole's penetration. We found that the Mole has the potential to cause a high degree of densification, especially if the initial granular material is relatively loose. The effect on the thermal conductivity from this densification was found to be relatively small in first-order calculations though more complete thermal models incorporating this densification should be a subject of further investigation. The results obtained provide an initial estimate of the Mole's impact on Martian regolith thermal properties.

High-throughput density-functional perturbation theory phonons for inorganic materials

NASA Astrophysics Data System (ADS)

Petretto, Guido; Dwaraknath, Shyam; P. C. Miranda, Henrique; Winston, Donald; Giantomassi, Matteo; van Setten, Michiel J.; Gonze, Xavier; Persson, Kristin A.; Hautier, Geoffroy; Rignanese, Gian-Marco

2018-05-01

The knowledge of the vibrational properties of a material is of key importance to understand physical phenomena such as thermal conductivity, superconductivity, and ferroelectricity among others. However, detailed experimental phonon spectra are available only for a limited number of materials, which hinders the large-scale analysis of vibrational properties and their derived quantities. In this work, we perform ab initio calculations of the full phonon dispersion and vibrational density of states for 1521 semiconductor compounds in the harmonic approximation based on density functional perturbation theory. The data is collected along with derived dielectric and thermodynamic properties. We present the procedure used to obtain the results, the details of the provided database and a validation based on the comparison with experimental data.

Magnetorheological materials, method for making, and applications thereof

DOEpatents

Shen, Rui; Yang, Hong; Shafrir, Shai N.; Miao, Chunlin; Wang, Mimi; Mici, Joni; Lambropoulos, John C.; Jacobs, Stephen D.

2014-08-19

A magnetorheological material comprises a magnetic particle and a ceramic material, wherein the magnetorheological material is in a dried form and further wherein a portion of the ceramic material is in the form of a nanocrystalline coating over the entire exterior surface of the magnetic particle and another portion of the ceramic material is in the form of a free nanocrystal. A magnetorheological material comprises a magnetic particle having a ceramic material coating over an external surface thereof as a result of a coating process, and a free nanocrystal of the ceramic material in the form of a residual by-product of the coating process. A sol-gel process for making a magnetorheological product comprises providing a sol of a desired ceramic coating material; combining a desired quantity of carbonyl iron (CI) particles with the sol to coat the CI particles with the ceramic coating material; creating a resulting quantity of nanocrystalline ceramic material-coated CI particles and a quantity of free nanocrystals of the ceramic material; and, drying the resulting quantity of coated CI particles and free nanocrystals to a moisture content equal to or less than 2 wt %.

Neutron Thermal Cross Sections, Westcott Factors, Resonance Integrals, Maxwellian Averaged Cross Sections and Astrophysical Reaction Rates Calculated from the ENDF/B-VII.1, JEFF-3.1.2, JENDL-4.0, ROSFOND-2010, CENDL-3.1 and EAF-2010 Evaluated Data Libraries

NASA Astrophysics Data System (ADS)

Pritychenko, B.; Mughabghab, S. F.

2012-12-01

We present calculations of neutron thermal cross sections, Westcott factors, resonance integrals, Maxwellian-averaged cross sections and astrophysical reaction rates for 843 ENDF materials using data from the major evaluated nuclear libraries and European activation file. Extensive analysis of newly-evaluated neutron reaction cross sections, neutron covariances, and improvements in data processing techniques motivated us to calculate nuclear industry and neutron physics quantities, produce s-process Maxwellian-averaged cross sections and astrophysical reaction rates, systematically calculate uncertainties, and provide additional insights on currently available neutron-induced reaction data. Nuclear reaction calculations are discussed and new results are presented. Due to space limitations, the present paper contains only calculated Maxwellian-averaged cross sections and their uncertainties. The complete data sets for all results are published in the Brookhaven National Laboratory report.

Benchmark Studies of the Effectiveness of Structural and Internal Materials as Radiation Shielding for the International Space Station

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, J.; Zeitlin, C.; Cucinotta, F.A.

2002-05-09

Accelerator-based measurements and model calculations have been used to study the heavy ion radiation transport properties of materials in use on the International Space Station (ISS). Samples of the ISS aluminum outer hull were augmented with various configurations of internal wall material and polyethylene. The materials were bombarded with high energy Fe ions characteristic of a significant part of the Galactic Cosmic Ray (GCR) heavy ion spectrum. Transmitted primary ions and charged fragments produced in nuclear collisions in the materials were measured near the beam axis, and a model was used to extrapolate from the data to lower beam energiesmore » and to a lighter ion. For the materials and ions studied, at incident particle energies from 1037 MeV/nucleon down to at least 600 MeV/nucleon, nuclear fragmentation reduces the average dose and dose equivalent per incident ion. At energies below 400 MeV/nucleon, the calculation predicts that as material is added, increased ionization energy loss produces increases in some dosimetric quantities. These limited results suggest that the addition of modest amounts of polyethylene or similar material to the interior of the ISS will reduce the dose to ISS crews from space radiation; however the radiation transport properties of ISS materials should be evaluated with a realistic space radiation field.« less

Benchmark studies of the effectiveness of structural and internal materials as radiation shielding for the international space station.

PubMed

Miller, J; Zeitlin, C; Cucinotta, F A; Heilbronn, L; Stephens, D; Wilson, J W

2003-03-01

Accelerator-based measurements and model calculations have been used to study the heavy-ion radiation transport properties of materials in use on the International Space Station (ISS). Samples of the ISS aluminum outer hull were augmented with various configurations of internal wall material and polyethylene. The materials were bombarded with high-energy iron ions characteristic of a significant part of the galactic cosmic-ray (GCR) heavy-ion spectrum. Transmitted primary ions and charged fragments produced in nuclear collisions in the materials were measured near the beam axis, and a model was used to extrapolate from the data to lower beam energies and to a lighter ion. For the materials and ions studied, at incident particle energies from 1037 MeV/nucleon down to at least 600 MeV/nucleon, nuclear fragmentation reduces the average dose and dose equivalent per incident ion. At energies below 400 MeV/nucleon, the calculation predicts that as material is added, increased ionization energy loss produces increases in some dosimetric quantities. These limited results suggest that the addition of modest amounts of polyethylene or similar material to the interior of the ISS will reduce the dose to ISS crews from space radiation; however, the radiation transport properties of ISS materials should be evaluated with a realistic space radiation field. Copyright 2003 by Radiation Research Society

Calculation of the nuclear material inventory in a sealed vault by 3D radiation mapping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adsley, Ian; Klepikov, Alexander; Tur, Yevgeniy

2013-07-01

The paper relates to the determination of the amount of nuclear material contained in a closed, concrete lined vault at the Aktau fast breeder reactor in Kazakhstan. This material had been disposed into the vault after examination in an experimental hot cell directly above the vault. In order to comply with IAEA Safeguards requirements it was necessary to determine the total quantities of nuclear materials - enriched uranium and plutonium - that were held with Kazakhstan. Although it was possible to determine the inventory of all of the accessible nuclear material - the quantity remaining in the vault was unknown.more » As part of the Global Threat Reduction Programme the UK Government funded a project to determine the inventory of these nuclear materials in this vault. This involved drilling three penetrations through the concrete lined roof of the vault; this enabled the placement of lights and a camera into the vault through two penetrations; while the third penetration enabled a lightweight manipulator arm to be introduced into the vault. This was used to provide a detailed 3D mapping of the dose rate within the vault and it also enabled the collection of samples for radionuclide analysis. The deconvolution of the 3D dose rate profile within the vault enabled the determination of the gamma emitting source distribution on the floor and walls of the vault. The samples were analysed to determine the fingerprint of those radionuclides producing the gamma dose - namely {sup 137}Cs and {sup 60}Co - to the nuclear materials. The combination of the dose rate source terms on the surfaces of the vault and the fingerprint then enabled the quantities of nuclear materials to be determined. The project was a major success and enabled the Kazakhstan Government to comply with IAEA Safeguards requirements. It also enabled the UK DECC Ministry to develop a technology of national (and international) use. Finally the technology was well received by IAEA Safeguards as an acceptable methodology for future studies. (authors)« less

Detonation Properties Measurements for Inorganic Explosives

NASA Astrophysics Data System (ADS)

Morgan, Brent A.; Lopez, Angel

2005-03-01

Many commonly available explosive materials have never been quantitatively or theoretically characterized in a manner suitable for use in analytical models. This includes inorganic explosive materials used in spacecraft ordnance, such as zirconium potassium perchlorate (ZPP). Lack of empirical information about these materials impedes the development of computational techniques. We have applied high fidelity measurement techniques to experimentally determine the pressure and velocity characteristics of ZPP, a previously uncharacterized explosive material. Advances in measurement technology now permit the use of very small quantities of material, thus yielding a significant reduction in the cost of conducting these experiments. An empirical determination of the explosive behavior of ZPP derived a Hugoniot for ZPP with an approximate particle velocity (uo) of 1.0 km/s. This result compares favorably with the numerical calculations from the CHEETAH thermochemical code, which predicts uo of approximately 1.2 km/s under ideal conditions.

Resonant vibrating sensors for tactile tissue differentiation

NASA Astrophysics Data System (ADS)

Hemsel, T.; Stroop, R.; Oliva Uribe, D.; Wallaschek, J.

2007-12-01

Surgical resection of brain tumours is a difficult task. To enhance surgery results, a tactile sensor is wanted that gives better resolution and sensitivity than the human tactile sense. The characteristics of resonant vibrating piezoelectric elements change with varying load. This allows for calculation of mechanical load parameters by measuring electrical quantities. Different setups of piezoelectric sensors have been used to investigate soft materials. Finally, a piezoelectric bimorph sensor gave good results for distinguishing tissue mimicking gel-phantoms with different gelatine concentrations.

Stopping-power and mass energy-absorption coefficient ratios for Solid Water.

PubMed

Ho, A K; Paliwal, B R

1986-01-01

The AAPM Task Group 21 protocol provides tables of ratios of average restricted stopping powers and ratios of mean energy-absorption coefficients for different materials. These values were based on the work of Cunningham and Schulz. We have calculated these quantities for Solid Water (manufactured by RMI), using the same x-ray spectra and method as that used by Cunningham and Schulz. These values should be useful to people who are using Solid Water for high-energy photon calibration.

Calculating Time-Integral Quantities in Depletion Calculations

DOE PAGES

Isotalo, Aarno

2016-06-02

A method referred to as tally nuclides is presented for accurately and efficiently calculating the time-step averages and integrals of any quantities that are weighted sums of atomic densities with constant weights during the step. The method allows all such quantities to be calculated simultaneously as a part of a single depletion solution with existing depletion algorithms. Some examples of the results that can be extracted include step-average atomic densities and macroscopic reaction rates, the total number of fissions during the step, and the amount of energy released during the step. Furthermore, the method should be applicable with several depletionmore » algorithms, and the integrals or averages should be calculated with an accuracy comparable to that reached by the selected algorithm for end-of-step atomic densities. The accuracy of the method is demonstrated in depletion calculations using the Chebyshev rational approximation method. Here, we demonstrate how the ability to calculate energy release in depletion calculations can be used to determine the accuracy of the normalization in a constant-power burnup calculation during the calculation without a need for a reference solution.« less

Concentration of stresses and strains in a notched cyclinder of a viscoplastic material under harmonic loading

NASA Astrophysics Data System (ADS)

Zhuk, Ya A.; Senchenkov, I. K.

1999-02-01

Certain aspects of the correct definitions of stress and strain concentration factors for elastic-viscoplastic solids under cyclic loading are discussed. Problems concerning the harmonic kinematic excitation of cylindrical specimens with a lateral V-notch are examined. The behavior of the material of a cylinder is modeled using generalized flow theory. An approximate model based on the concept of complex moduli is used for comparison. Invariant characteristics such as stress and strain intensities and maximum principal stress and strain are chosen as constitutive quantities for concentration-factor definitions. The behavior of time-varying factors is investigated. Concentration factors calculated in terms of the amplitudes of the constitutive quantities are used as representative characteristics over the cycle of vibration. The dependences of the concentration factors on the loads are also studied. The accuracy of Nueber's and Birger's formulas is evaluated. The solution of the problem in the approximate formulation agrees with its solution in the exact formulation. The possibilities of the approximate model for estimating low-cycle fatigue are evaluated.

Spectral parameters and Hamaker constants of silicon hydride compounds and organic solvents.

PubMed

Masuda, Takashi; Matsuki, Yasuo; Shimoda, Tatsuya

2009-12-15

Cyclopentasilane (CPS) and polydihydrosilane, which consist of hydrogen and silicon only, are unique materials that can be used to produce intrinsic silicon film in a liquid process, such as spin coating or an ink-jet method. Wettability and solubility of general organic solvents including the above can be estimated by Hamaker constants, which are calculated according to the Lifshitz theory. In order to calculate a Hamaker constant by the simple spectral method (SSM), it is necessary to obtain absorption frequency and function of oscillator strength in the ultraviolet region. In this report, these physical quantities were obtained by means of an optical method. As a result of examination of the relation between molecular structures and ultraviolet absorption frequencies, which were obtained from various liquid materials, it was concluded that ultraviolet absorption frequencies became smaller as electrons were delocalized. In particular, the absorption frequencies were found to be very small for CPS and polydihydrosilane due to sigma-conjugate of their electrons. The Hamaker constants of CPS and polydihydrosilane were successfully calculated based on the obtained absorption frequency and function of oscillator strength.

49 CFR 173.4a - Excepted quantities.

Code of Federal Regulations, 2012 CFR

2012-10-01

... ice), and lithium batteries and cells. (c) Inner packaging limits. The maximum quantity of hazardous materials in each inner packaging is limited to: (1) For toxic material with a Division 6.1 primary or... excepted quantities must meet the following: (1) Each inner receptacle must be constructed of plastic, or...

40 CFR 227.9 - Limitations on quantities of waste materials.

Code of Federal Regulations, 2010 CFR

2010-07-01

... materials. 227.9 Section 227.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) OCEAN DUMPING CRITERIA FOR THE EVALUATION OF PERMIT APPLICATIONS FOR OCEAN DUMPING OF MATERIALS Environmental Impact § 227.9 Limitations on quantities of waste materials. Substances which may damage the ocean...

40 CFR 227.9 - Limitations on quantities of waste materials.

Code of Federal Regulations, 2013 CFR

2013-07-01

... materials. 227.9 Section 227.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) OCEAN DUMPING CRITERIA FOR THE EVALUATION OF PERMIT APPLICATIONS FOR OCEAN DUMPING OF MATERIALS Environmental Impact § 227.9 Limitations on quantities of waste materials. Substances which may damage the ocean...

40 CFR 227.9 - Limitations on quantities of waste materials.

Code of Federal Regulations, 2012 CFR

2012-07-01

... materials. 227.9 Section 227.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) OCEAN DUMPING CRITERIA FOR THE EVALUATION OF PERMIT APPLICATIONS FOR OCEAN DUMPING OF MATERIALS Environmental Impact § 227.9 Limitations on quantities of waste materials. Substances which may damage the ocean...

40 CFR 227.9 - Limitations on quantities of waste materials.

Code of Federal Regulations, 2011 CFR

2011-07-01

... materials. 227.9 Section 227.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) OCEAN DUMPING CRITERIA FOR THE EVALUATION OF PERMIT APPLICATIONS FOR OCEAN DUMPING OF MATERIALS Environmental Impact § 227.9 Limitations on quantities of waste materials. Substances which may damage the ocean...

40 CFR 227.9 - Limitations on quantities of waste materials.

Code of Federal Regulations, 2014 CFR

2014-07-01

... materials. 227.9 Section 227.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) OCEAN DUMPING CRITERIA FOR THE EVALUATION OF PERMIT APPLICATIONS FOR OCEAN DUMPING OF MATERIALS Environmental Impact § 227.9 Limitations on quantities of waste materials. Substances which may damage the ocean...

Adhesion and Interphase Properties of Reinforced Polymeric Composites

NASA Astrophysics Data System (ADS)

Caldwell, Kyle Bernd

Reinforced polymeric composites are an increasingly utilized material with a wide range of applications. Fiber reinforced polymeric composites, in particular, possess impressive mechanical properties at a fraction of the weight of many other building materials. There will always, however, be a demand for producing lighter, stiffer, and stronger materials. Understanding the mechanism of adhesion and ways to engineer the reinforcement-matrix interphase can lead to the development of new materials with improved mechanical properties, and even impart additional functionality such as electrical conductivity. The performance of reinforced polymeric composites is critically dependent upon the adhesion between the reinforcement and the surrounding polymer. The relative adhesion between a filler and a thermoplastic matrix can be predicted using calculable thermodynamic quantities such as the Gibbs free energy of mixing. A recent model, COSMO-SAC, is capable of predicting the adhesion between organo-silane treated glass surfaces and several thermoplastic materials. COSMO-SAC uses information based on the charge distribution of a molecule's surface to calculate many thermodynamic properties. Density functional theory calculations, which are relative inexpensive computations, generate the information necessary to perform the COSMO-SAC analysis and can be performed on any given molecule. The flexibility of the COSMO-SAC model is one of the main advantages it possesses over other methods for calculating thermodynamic quantities. In many cases the adhesion between a reinforcing fiber and the surrounding matrix may be improved by incorporating interphase modifiers in the vicinity of the fiber surface. The modifiers can improve the fracture toughness and modulus of the interphase, which may improve the stress transfer from the matrix to the fiber. In addition, the interphase modifiers may improve the mechanical interlock between the fiber surface and the bulk polymer, leading to improved adhesion. In recent years, the use of so called "migrating agents" have been used to self-assemble nanoparticle reinforced fiber-matrix interphases in thermosetting resin systems. The inclusion of a modest amount of thermoplastic migrating agent can lead to the formation of a self-assembled interphase, without causing aggregation of nanoparticles in the bulk phase. Formulations containing excess migrating agent, however, can induce aggregation in the bulk of increasing severity with increasing migrating agent concentration. Several techniques were used to study the mechanism by which the migrating agents operate including, scanning electron microscopy, and in situ fluorescence microscopy. The self-assembly mechanism by which migrating agents operate is described well by depletion forces, which are depend on the geometry of the approaching objects, as well as the migrating agent molecular weight and concentration.

Ground State Resonance Structure of Some Typical High Explosives Calculated by Density Functional Theory

DTIC Science & Technology

2011-03-04

direct relationships between calculated quantities obtained by DFT and the “conveniently measurable” quantities α and rn...VCH Verlag, Weinheim, 2004). [11] A. D. Becke, “Density- funtional Thermochemistry. III. The Role of Exact Exchange”, J. Chem. Phys. 98, 5648-5652

Phonology and arithmetic in the language-calculation network.

PubMed

Andin, Josefine; Fransson, Peter; Rönnberg, Jerker; Rudner, Mary

2015-04-01

Arithmetic and language processing involve similar neural networks, but the relative engagement remains unclear. In the present study we used fMRI to compare activation for phonological, multiplication and subtraction tasks, keeping the stimulus material constant, within a predefined language-calculation network including left inferior frontal gyrus and angular gyrus (AG) as well as superior parietal lobule and the intraparietal sulcus bilaterally. Results revealed a generally left lateralized activation pattern within the language-calculation network for phonology and a bilateral activation pattern for arithmetic, and suggested regional differences between tasks. In particular, we found a more prominent role for phonology than arithmetic in pars opercularis of the left inferior frontal gyrus but domain generality in pars triangularis. Parietal activation patterns demonstrated greater engagement of the visual and quantity systems for calculation than language. This set of findings supports the notion of a common, but regionally differentiated, language-calculation network. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Towards ab initio Calculations with the Dynamical Vertex Approximation

NASA Astrophysics Data System (ADS)

Galler, Anna; Kaufmann, Josef; Gunacker, Patrik; Pickem, Matthias; Thunström, Patrik; Tomczak, Jan M.; Held, Karsten

2018-04-01

While key effects of the many-body problem — such as Kondo and Mott physics — can be understood in terms of on-site correlations, non-local fluctuations of charge, spin, and pairing amplitudes are at the heart of the most fascinating and unresolved phenomena in condensed matter physics. Here, we review recent progress in diagrammatic extensions to dynamical mean-field theory for ab initio materials calculations. We first recapitulate the quantum field theoretical background behind the two-particle vertex. Next we discuss latest algorithmic advances in quantum Monte Carlo simulations for calculating such two-particle quantities using worm sampling and vertex asymptotics, before giving an introduction to the ab initio dynamical vertex approximation (AbinitioDΓA). Finally, we highlight the potential of AbinitioDΓA by detailing results for the prototypical correlated metal SrVO3.

Lattice dynamics and thermal conductivity of lithium fluoride via first-principles calculations

NASA Astrophysics Data System (ADS)

Liang, Ting; Chen, Wen-Qi; Hu, Cui-E.; Chen, Xiang-Rong; Chen, Qi-Feng

2018-04-01

The lattice thermal conductivity of lithium fluoride (LiF) is accurately computed from a first-principles approach based on an iterative solution of the Boltzmann transport equation. Real-space finite-difference supercell approach is employed to generate the second- and third-order interatomic force constants. The related physical quantities of LiF are calculated by the second- and third- order potential interactions at 30 K-1000 K. The calculated lattice thermal conductivity 13.89 W/(m K) for LiF at room temperature agrees well with the experimental value, demonstrating that the parameter-free approach can furnish precise descriptions of the lattice thermal conductivity for this material. Besides, the Born effective charges, dielectric constants and phonon spectrum of LiF accord well with the existing data. The lattice thermal conductivities for the iterative solution of BTE are also presented.

Determination of renewable energy yield from mixed waste material from the use of novel image analysis methods.

PubMed

Wagland, S T; Dudley, R; Naftaly, M; Longhurst, P J

2013-11-01

Two novel techniques are presented in this study which together aim to provide a system able to determine the renewable energy potential of mixed waste materials. An image analysis tool was applied to two waste samples prepared using known quantities of source-segregated recyclable materials. The technique was used to determine the composition of the wastes, where through the use of waste component properties the biogenic content of the samples was calculated. The percentage renewable energy determined by image analysis for each sample was accurate to within 5% of the actual values calculated. Microwave-based multiple-point imaging (AutoHarvest) was used to demonstrate the ability of such a technique to determine the moisture content of mixed samples. This proof-of-concept experiment was shown to produce moisture measurement accurate to within 10%. Overall, the image analysis tool was able to determine the renewable energy potential of the mixed samples, and the AutoHarvest should enable the net calorific value calculations through the provision of moisture content measurements. The proposed system is suitable for combustion facilities, and enables the operator to understand the renewable energy potential of the waste prior to combustion. Copyright © 2013 Elsevier Ltd. All rights reserved.

Analysis Method of Friction Torque and Weld Interface Temperature during Friction Process of Steel Friction Welding

NASA Astrophysics Data System (ADS)

Kimura, Masaaki; Inoue, Haruo; Kusaka, Masahiro; Kaizu, Koichi; Fuji, Akiyoshi

This paper describes an analysis method of the friction torque and weld interface temperature during the friction process for steel friction welding. The joining mechanism model of the friction welding for the wear and seizure stages was constructed from the actual joining phenomena that were obtained by the experiment. The non-steady two-dimensional heat transfer analysis for the friction process was carried out by calculation with FEM code ANSYS. The contact pressure, heat generation quantity, and friction torque during the wear stage were calculated using the coefficient of friction, which was considered as the constant value. The thermal stress was included in the contact pressure. On the other hand, those values during the seizure stage were calculated by introducing the coefficient of seizure, which depended on the seizure temperature. The relationship between the seizure temperature and the relative speed at the weld interface in the seizure stage was determined using the experimental results. In addition, the contact pressure and heat generation quantity, which depended on the relative speed of the weld interface, were solved by taking the friction pressure, the relative speed and the yield strength of the base material into the computational conditions. The calculated friction torque and weld interface temperatures of a low carbon steel joint were equal to the experimental results when friction pressures were 30 and 90 MPa, friction speed was 27.5 s-1, and weld interface diameter was 12 mm. The calculation results of the initial peak torque and the elapsed time for initial peak torque were also equal to the experimental results under the same conditions. Furthermore, the calculation results of the initial peak torque and the elapsed time for initial peak torque at various friction pressures were equal to the experimental results.

40 CFR 264.56 - Emergency procedures.

Code of Federal Regulations, 2010 CFR

2010-07-01

... surface water run-off from water or chemical agents used to control fire and heat-induced explosions). (d...) Name and quantity of material(s) involved, to the extent known; (v) The extent of injuries, if any; and... quantity of material(s) involved; (5) The extent of injuries, if any; (6) An assessment of actual or...

Measured iron-gallium alloy tensile properties under magnetic fields

NASA Astrophysics Data System (ADS)

Yoo, Jin-Hyeong; Flatau, Alison B.

2004-07-01

Tension testing is used to identify Galfenol material properties under low level DC magnetic bias fields. Dog bone shaped specimens of single crystal Fe100-xGax, where 17<=x<=33, underwent tensile testing along two crystalographic axis orientations, [110] and [100]. The material properties being investigated and calculated from measured quantities are: Young's modulus and Poisson's ratio. Data are presented that demonstrate the dependence of these material properties on applied magnetic field levels and provide a preliminary assessment of the trends in material properties for performance under varied operating conditions. The elastic properties of Fe-Ga alloys were observed to be increasingly anisotropic with rising Ga content for the stoichiometries examined. The largest elastic anisotropies were manifested in [110] Poisson's ratios of as low as -0.63 in one specimen. This negative Poisson's ratio creates a significant in-plane auxetic behavior that could be exploited in applications that capitalize on unique area effects produced under uniaxial loading.

Tire-wear particles as a source of zinc to the environment

USGS Publications Warehouse

Councell, T.B.; Duckenfield, K.U.; Landa, E.R.; Callender, E.

2004-01-01

Tire-tread material has a zinc (Zn) content of about 1 wt %. The quantity of tread material lost to road surfaces by abrasion has not been well characterized. Two approaches were used to assess the magnitude of this nonpoint source of Zn in the U.S. for the period 1936-1999. In the first approach, tread-wear rates from the automotive engineering literature were used in conjunction with vehicle distance-driven data from the U.S. Department of Transportation to determine Zn releases. A second approach calculated this source term from the volume of tread lost during lifetime tire wear. These analyses showed that the quantity of Zn released by tire wear in the mid-1990s was of the same magnitude as that released from waste incineration. For 1999, the quantity of Zn released by tire wear in the U.S. is estimated to be 10 000-11 000 metric tons. A specific case study focused on Zn sources and sinks in an urban-suburban watershed (Lake Anne) in the Washington, DC, metropolitan area for a time period of the late 1990s. The atmospheric flux of total Zn (wet deposition) to the watershed was 2 ??g/cm2/yr. The flux of Zn to the watershed estimated from tire wear was 42 ??g/cm2/yr. The measured accumulation rate of total Zn in age-dated sediment cores from Lake Anne was 27 ??g/cm2/yr. These data suggest that tire-wear Zn inputs to urban-suburban watersheds can be significantly greater than atmospheric inputs, although the watershed appears to retain appreciable quantities of vehicular Zn inputs.

Potential radiological impact of tornadoes on the safety of Nuclear Fuel Services' West Valley Fuel Reprocessing Plant. 2. Reentrainment and discharge of radioactive materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, W Jr

1981-07-01

This report describes results of a parametric study of quantities of radioactive materials that might be discharged by a tornado-generated depressurization on contaminated process cells within the presently inoperative Nuclear Fuel Services' (NFS) fuel reprocessing facility near West Valley, New York. The study involved the following tasks: determining approximate quantities of radioactive materials in the cells and characterizing particle-size distribution; estimating the degree of mass reentrainment from particle-size distribution and from air speed data presented in Part 1; and estimating the quantities of radioactive material (source term) released from the cells to the atmosphere. The study has shown that improperlymore » sealed manipulator ports in the Process Mechanical Cell (PMC) present the most likely pathway for release of substantial quantities of radioactive material in the atmosphere under tornado accident conditions at the facility.« less

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

NASA Technical Reports Server (NTRS)

Lawson, John W.; Bauschlicher, Charles W.; Daw, Murray

2011-01-01

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.

75 FR 10973 - Hazardous Materials: Risk-Based Adjustment of Transportation Security Plan Requirements

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-09

... fertilizers) in solids. quantities >3,000 L (793 gallons) in a single packaging. 5.2 Any quantity of Organic Any quantity of Organic None. peroxide, Type B, liquid peroxide, Type B, liquid or solid, temperature... ammonium nitrate fertilizers; (13) Division 6.1 Packing Group I toxic materials; (14) Division 6.2...

An Overview of the Regulation of Low Dose Radiation in the Nuclear and Non-nuclear Industries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Menon, Shankar; Valencia, Luis; Teunckens, Lucien

Now that increasing numbers of nuclear power stations are reaching the end of their commercially useful lives, the management of the large quantities of very low level radioactive material that arises during their decommissioning has become a major subject of discussion, with very significant economic implications. Much of this material can, in an environmentally advantageous manner, be recycled for reuse without radiological restrictions. Much larger quantities--2-3 orders of magnitude larger--of material, radiologically similar to the candidate material for recycling from the nuclear industry, arise in non-nuclear industries like coal, fertilizer, oil and gas, mining, etc. In such industries, naturally occurringmore » radioactivity is artificially concentrated in products, by-products or waste to form TENORM (Technologically Enhanced Naturally Occurring Radioactive Material). It is only in the last decade that the international community has become aware of the prevalence of TENORM, specially the activity levels and quantities arising in so many non-nuclear industries. The first reaction of international organizations seems to have been to propose different standards for the nuclear and non-nuclear industries, with very stringent release criteria for radioactive material from the regulated nuclear industry and up to thirty to a hundred times more liberal criteria for the release/exemption of TENORM from the as yet unregulated non-nuclear industries. There are significant strategic issues that need to be discussed and resolved. Some examples of these are: - Disposal aspects of long-lived nuclides, - The use of radioactive residues in building materials, - Commercial aspects of differing and discriminating criteria in competing power industries in a world of deregulated electric power production. Of even greater importance is the need for the discussion of certain basic issues, such as - The quantitative risk levels of exposure to ionizing radiation, - The need for in-depth studies on populations of the naturally high background dose level areas of the world, - The validity of the various calculation codes currently used to arrive at mass specific clearance levels for redundant material. The paper discusses these and other strategic issues regarding the management of redundant low radiation material from both the nuclear and non-nuclear industries, underlining the need for consistency in regulatory treatment.« less

Explicit tracking of uncertainty increases the power of quantitative rule-of-thumb reasoning in cell biology.

PubMed

Johnston, Iain G; Rickett, Benjamin C; Jones, Nick S

2014-12-02

Back-of-the-envelope or rule-of-thumb calculations involving rough estimates of quantities play a central scientific role in developing intuition about the structure and behavior of physical systems, for example in so-called Fermi problems in the physical sciences. Such calculations can be used to powerfully and quantitatively reason about biological systems, particularly at the interface between physics and biology. However, substantial uncertainties are often associated with values in cell biology, and performing calculations without taking this uncertainty into account may limit the extent to which results can be interpreted for a given problem. We present a means to facilitate such calculations where uncertainties are explicitly tracked through the line of reasoning, and introduce a probabilistic calculator called CALADIS, a free web tool, designed to perform this tracking. This approach allows users to perform more statistically robust calculations in cell biology despite having uncertain values, and to identify which quantities need to be measured more precisely to make confident statements, facilitating efficient experimental design. We illustrate the use of our tool for tracking uncertainty in several example biological calculations, showing that the results yield powerful and interpretable statistics on the quantities of interest. We also demonstrate that the outcomes of calculations may differ from point estimates when uncertainty is accurately tracked. An integral link between CALADIS and the BioNumbers repository of biological quantities further facilitates the straightforward location, selection, and use of a wealth of experimental data in cell biological calculations. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Removal of Cd (II) from synthetic wastewater by alginate-Ayous wood sawdust (Triplochiton scleroxylon) composite material.

PubMed

Njimou, Jacques Romain; Măicăneanu, Andrada; Indolean, Cerasella; Nanseu-Njiki, Charles Péguy; Ngameni, Emmanuel

2016-01-01

The biosorption characteristics of Cd (II) ions from synthetic wastewater using raw Ayous wood sawdust (Triplochiton scleroxylon), r-AS, immobilized by sodium alginate were investigated with respect to pH, biomass quantity, contact time, initial concentration of heavy metal, temperature and stirring rate. The experimental data fitted well with the Langmuir isotherm, suggesting that monolayer adsorption of the cadmium ions onto alginate-Ayous sawdust composite (a-ASC). The obtained monolayer adsorption capacity of a-ASC for Cd (II) was 6.21 mg/g. From the Dubinin-Radushkevich isotherm model, a 5.39 kJ/mol value for the mean free energy was calculated, indicating that Cd (II) biosorption could include an important physisorption stage. Thermodynamic calculations showed that the Cd (II) biosorption process was feasible, endothermic and spontaneous in nature under examined conditions. The results indicated that a-ASC could be an alternative material replacing more costly adsorbents used for the removal of heavy metals.

40 CFR 63.1251 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... ingredient means any material that is intended to furnish pharmacological activity or other direct effect in... this section. Consumption means the quantity of all HAP raw materials entering a process in excess of... as added as a raw material, consumption includes the quantity generated in the process. Container, as...

40 CFR 63.1251 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... ingredient means any material that is intended to furnish pharmacological activity or other direct effect in... this section. Consumption means the quantity of all HAP raw materials entering a process in excess of... as added as a raw material, consumption includes the quantity generated in the process. Container, as...

40 CFR 63.1251 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... ingredient means any material that is intended to furnish pharmacological activity or other direct effect in... this section. Consumption means the quantity of all HAP raw materials entering a process in excess of... as added as a raw material, consumption includes the quantity generated in the process. Container, as...

Evaluation of lyophility of carbon materials for electrodes of supercapacitors

NASA Astrophysics Data System (ADS)

Kompan, M. E.; Agafonov, D. V.; Bursian, A. E.; Dmitriev, D. S.; Mikryukova, M. A.

2016-12-01

The heats of wetting have been measured experimentally for some of the solvents used for the preparation of electrolytes of supercapacitors. For the first time, the heat of wetting has been measured for a new promising solvent—tributyl phosphate. Using acetonitrile as an example, the possible orientation of the molecule at the adsorbing surface has been investigated by the technique of surface-enhanced Raman scattering (SERS) (effect of giant enhancement of the scattering by a conducting surface). The calculated estimates have been obtained for the quantities found in the experiment.

Accelerating large scale Kohn-Sham density functional theory calculations with semi-local functionals and hybrid functionals

NASA Astrophysics Data System (ADS)

Lin, Lin

The computational cost of standard Kohn-Sham density functional theory (KSDFT) calculations scale cubically with respect to the system size, which limits its use in large scale applications. In recent years, we have developed an alternative procedure called the pole expansion and selected inversion (PEXSI) method. The PEXSI method solves KSDFT without solving any eigenvalue and eigenvector, and directly evaluates physical quantities including electron density, energy, atomic force, density of states, and local density of states. The overall algorithm scales as at most quadratically for all materials including insulators, semiconductors and the difficult metallic systems. The PEXSI method can be efficiently parallelized over 10,000 - 100,000 processors on high performance machines. The PEXSI method has been integrated into a number of community electronic structure software packages such as ATK, BigDFT, CP2K, DGDFT, FHI-aims and SIESTA, and has been used in a number of applications with 2D materials beyond 10,000 atoms. The PEXSI method works for LDA, GGA and meta-GGA functionals. The mathematical structure for hybrid functional KSDFT calculations is significantly different. I will also discuss recent progress on using adaptive compressed exchange method for accelerating hybrid functional calculations. DOE SciDAC Program, DOE CAMERA Program, LBNL LDRD, Sloan Fellowship.

10 CFR 32.18 - Manufacture, distribution and transfer of exempt quantities of byproduct material: Requirements...

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Manufacture, distribution and transfer of exempt quantities of byproduct material: Requirements for license. 32.18 Section 32.18 Energy NUCLEAR REGULATORY COMMISSION SPECIFIC DOMESTIC LICENSES TO MANUFACTURE OR TRANSFER CERTAIN ITEMS CONTAINING BYPRODUCT MATERIAL...

Multi-scale calculation based on dual domain material point method combined with molecular dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dhakal, Tilak Raj

This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting the multi-scale simulation in a small spatial region, such as phase interfaces, or crackmore » tips, this multi-scale method can be used to consider non-equilibrium thermodynamic e ects in a macroscopic domain. This method takes advantage that the material points only communicate with mesh nodes, not among themselves; therefore MD simulations for material points can be performed independently in parallel. First, using a one-dimensional shock problem as an example, the numerical properties of the original material point method (MPM), the generalized interpolation material point (GIMP) method, the convected particle domain interpolation (CPDI) method, and the DDMP method are investigated. Among these methods, only the DDMP method converges as the number of particles increases, but the large number of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared with direct MD simulation results to demonstrate the feasibility of the method. Also, the multi-scale method is applied for a two dimensional problem of jet formation around copper notch under a strong impact.« less

Radiation quantities and units

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1980-04-15

This report supersedes ICRU Report 19. Since ICRU Report 19 was published, a number of discussions have taken place between members of the Report Committee on Fundamental Quantities and Units and other workers in the field. Some of these discussions have resulted in the acceptance of certain modifications in the material set out in Report 19 and these modifications are incorporated in the current report. In addition, there has been some expansion and rearrangement of the material in the earlier report. In line, with providing more didactic material and useful source material for other ICRU reports, the general considerations inmore » subsection 1.A of Report 19 have been expanded and placed in a separate subsection. The additional material includes discussions of four terms that are used in this document - quantity, unit, stochastic, and non-stochastic - along with a brief discussion of the mathematical formalism used in ICRU reports. As in ICRU Report 19, the definitions of quantities and units specifically designed for radiation protection (Part B) are separated from those of the general quantities (Part A). The inclusion of the index concept outlined in ICRU Report 25(4) required an extension of Part B.« less

40 CFR 355.13 - How do I calculate the quantity of an extremely hazardous substance present in mixtures?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 28 2011-07-01 2011-07-01 false How do I calculate the quantity of an extremely hazardous substance present in mixtures? 355.13 Section 355.13 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SUPERFUND, EMERGENCY PLANNING, AND COMMUNITY RIGHT-TO-KNOW PROGRAMS...

Using the Metropolis Algorithm to Calculate Thermodynamic Quantities: An Undergraduate Computational Experiment

ERIC Educational Resources Information Center

Beddard, Godfrey S.

2011-01-01

Thermodynamic quantities such as the average energy, heat capacity, and entropy are calculated using a Monte Carlo method based on the Metropolis algorithm. This method is illustrated with reference to the harmonic oscillator but is particularly useful when the partition function cannot be evaluated; an example using a one-dimensional spin system…

Definition of Small Gram Quantity Contents for Type B Radioactive Material Transportation Packages: Activity-Based Content Limitations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sitaraman, S; Kim, S; Biswas, D

2010-10-27

Since the 1960's, the Department of Transportation Specification (DOT Spec) 6M packages have been used extensively for transportation of Type B quantities of radioactive materials between Department of Energy (DOE) facilities, laboratories, and productions sites. However, due to the advancement of packaging technology, the aging of the 6M packages, and variability in the quality of the packages, the DOT implemented a phased elimination of the 6M specification packages (and other DOT Spec packages) in favor of packages certified to meet federal performance requirements. DOT issued the final rule in the Federal Register on October 1, 2004 requiring that use ofmore » the DOT Specification 6M be discontinued as of October 1, 2008. A main driver for the change was the fact that the 6M specification packagings were not supported by a Safety Analysis Report for Packaging (SARP) that was compliant with Title 10 of the Code of Federal Regulations part 71 (10 CFR 71). Therefore, materials that would have historically been shipped in 6M packages are being identified as contents in Type B (and sometimes Type A fissile) package applications and addenda that are to be certified under the requirements of 10 CFR 71. The requirements in 10 CFR 71 include that the Safety Analysis Report for Packaging (SARP) must identify the maximum radioactivity of radioactive constituents and maximum quantities of fissile constituents (10 CFR 71.33(b)(1) and 10 CFR 71.33(b)(2)), and that the application (i.e., SARP submittal or SARP addendum) demonstrates that the external dose rate (due to the maximum radioactivity of radioactive constituents and maximum quantities of fissile constituents) on the surface of the packaging (i.e., package and contents) not exceed 200 mrem/hr (10 CFR 71.35(a), 10 CFR 71.47(a)). It has been proposed that a 'Small Gram Quantity' of radioactive material be defined, such that, when loaded in a transportation package, the dose rates at external points of an unshielded packaging not exceed the regulatory limits prescribed by 10 CFR 71 for non-exclusive shipments. The mass of each radioisotope presented in this paper is limited by the radiation dose rate on the external surface of the package, which per the regulatory limit should not exceed 200 mrem/hr. The results presented are a compendium of allowable masses of a variety of different isotopes (with varying impurity levels of beryllium in some of the actinide isotopes) that, when loaded in an unshielded packaging, do not result in an external dose rate on the surface of the package that exceeds 190 mrem/hr (190 mrem/hr was chosen to provide 5% conservatism relative to the regulatory limit). These mass limits define the term 'Small Gram Quantity' (SGQ) contents in the context of radioactive material transportation packages. The term SGQ is isotope-specific and pertains to contents in radioactive material transportation packages that do not require shielding and still satisfy the external dose rate requirements. Since these calculated mass limits are for contents without shielding, they are conservative for packaging materials that provide some limited shielding or if the contents are placed into a shielded package. The isotopes presented in this paper were chosen as the isotopes that Department of Energy (DOE) sites most likely need to ship. Other more rarely shipped isotopes, along with industrial and medical isotopes, are planned to be included in subsequent extensions of this work.« less

From electronic consumer products to e-wastes: Global outlook, waste quantities, recycling challenges.

PubMed

Tansel, Berrin

2017-01-01

Advancements in technology, materials development, and manufacturing processes have changed the consumer products and composition of municipal solid waste (MSW) since 1960s. Increasing quantities of discarded consumer products remain a major challenge for recycling efforts, especially for discarded electronic products (also referred as e-waste). The growing demand for high tech products has increased the e-waste quantities and its cross boundary transport globally. This paper reviews the challenges associated with increasing e-waste quantities. The increasing need for raw materials (especially for rare earth and minor elements) and unregulated e-waste recycling operations in developing and underdeveloped counties contribute to the growing concerns for e-waste management. Although the markets for recycled materials are increasing; there are major challenges for development of the necessary infrastructure for e-waste management and accountability as well as development of effective materials recovery technologies and product design. Copyright © 2016 Elsevier Ltd. All rights reserved.

10 CFR 40.22 - Small quantities of source material.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 1 2014-01-01 2014-01-01 false Small quantities of source material. 40.22 Section 40.22 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC LICENSING OF SOURCE MATERIAL General Licenses § 40.22 Small... (15.4 lb) of uranium, removed during the treatment of drinking water, at any one time. A person may...

[Dosimetric system for assessing doses received by people occupationally exposed to external sources of ionizing radiation].

PubMed

Brodecki, Marcin; Domienik, Joanna U; Zmyślony, Marek

2012-01-01

The current system of dosimetric quantities has been defined by the International Commission on Radiological Protection (ICRP) and the International Commission on Radiation Units and Measurements (ICRU). Complexity of the system implies the physical nature of ionizing radiation, resulting from the presence of different types of radiation of different ionization capabilities, as well as the individual radiation sensitivity of biological material exposed. According to the latest recommendations, there are three types of dosimeter quantities relevant to radiation protection and radiological assessment of occupational exposure. These are the basic quantities, safety quantities and operational quantities. Dose limits for occupational exposure relate directly to the protection quantities, i.e. the equivalent dose and effective dose, while these quantities are practically unmeasurable in real measurement conditions. For this reason, in the system of dosimetric quantities directly measurable operating volumes were defined. They represent equivalents of the protection quantities that allow for a reliable assessment of equivalent and effective dose by conducting routine monitoring of occupational exposure. This paper presents the characteristics of these quantities, their relationships and importance in assessing individual effects of radiation. Also the methods for their implementation in personal and environmental dosimetry were showcased. The material contained in the article is a compendium of essential information about dosimetric quantities with reference to the contemporary requirements of the law, including the changed annual occupational exposure limit for the lens of the eye. The material is especially addressed to those responsible for dosimetry monitoring in the workplace, radiation protection inspectors and occupational health physicians.

A combined boundary-profile and automated data-reduction and analysis system. [meteorological balloon-calculator system

NASA Technical Reports Server (NTRS)

Deloach, R.; Morris, A. L.; Mcbeth, R. B.

1976-01-01

A portable boundary-layer meteorological data-acquisition and analysis system is described which employs a small tethered balloon and a programmable calculator. The system is capable of measuring pressure, wet- and dry-bulb temperature, wind speed, and temperature fluctuations as a function of height and time. Other quantities, which can be calculated in terms of these, can also be made available in real time. All quantities, measured and calculated, can be printed, plotted, and stored on magnetic tape in the field during the data-acquisition phase of an experiment.

VizieR Online Data Catalog: Thermodynamic quantities of molecular hydrogen (Popovas+, 2016)

NASA Astrophysics Data System (ADS)

Popovas, A.; Jorgensen, U. G.

2016-07-01

New partition functions for equilibrium, normal, and ortho and para hydrogen are calculated and thermodynamic quantities are reported for the temperature range 1-20000K. Our results are compared to previous estimates in the literature. The calculations are not limited to the ground electronic state, but include all bound and quasi-bound levels of excited electronic states. Dunham coefficients of these states of H2 are also reported. Reported internal partition functions and thermodynamic quantities in the present work are shown to be more accurate than previously available data. (4 data files).

Quantification and classification of ship scraping waste at Alang-Sosiya, India.

PubMed

Srinivasa Reddy, M; Basha, Shaik; Sravan Kumar, V G; Joshi, H V; Ghosh, P K

2003-12-01

Alang-Sosiya located on the Western Coast of Gulf of Cambay, is the largest ship recycling yard in the world. Every year on average 365 ships having a mean weight (2.10x10(6)+/-7.82x10(5) LDT) are scrapped. This industry generates a huge quantity of solid waste in the form of broken wood, rubber, insulation materials, paper, metals, glass and ceramics, plastics, leather, textiles, food waste, chemicals, paints, thermocol, sponge, ash, oil mixed sponges, miscellaneous combustible and non-combustible. The quantity and composition of solid waste was collected for a period of three months and the average values are presented in this work. Sosiya had the most waste 15.63 kg/m(2) compared to Alang 10.19 kg/m(2). The combustible solid waste quantity was around 83.0% of the total solid waste available at the yard, which represents an average weight of 9.807 kg/m(2); whereas, non-combustible waste is 1.933 kg/m(2). There is not much difference between the average of total solid waste calculated from the sampling data (96.71 MT/day) and the data provided by the port authorities (96.8 MT/day).

Marshall Space Flight Center solid waste characterization and recycling improvement study

NASA Technical Reports Server (NTRS)

Eley, Michael H.; Crews, Lavonne; Johnston, Ben; Lee, David; Colebaugh, James

1995-01-01

The MSFC Facilities Office, which is responsible for disposing of all waste generated by MSFC, issued a delivery order to the University of Alabama in Huntsville (UAH) to characterize current MSFC waste streams and to evaluate their existing recycling program. The purpose of the study was to define the nature, quantity, and types of waste produced and to generate ideas for improving the present recycling program. Specifically, the following tasks were to be performed: Identify various surplus and waste materials--as identified by the Contracting Officer's Technical Representative (COTR)--by source, location, and type; Analyze MSFC's current methods for handling, storage, transport, and disposition of waste and surplussed materials; Determine the composition of various surplus and waste materials as to type and quantities from various sources and locations; Analyze different methods for the disposition of various surplus and waste materials, including quality, quantity, preparation, transport cost, and value; Study possible alternatives to current methods of handling, storage, transport, and disposition of surplus and waste materials to improve the quality and quantities recycled or sold and to reduce and minimize the quantities of surplus and waste material currently being disposed of or stored; Provide recommendations for source and centralized segregation and aggregation of materials for recycling and/or disposition; and The analysis could include identification and laboratory level evaluation of methods and/or equipment, including capital costs, operating costs, maintenance requirements, life cycle and return on investment for systems to support the waste reduction program mission.

Quasiparticle band structures and interface physics of SnS and GeS

NASA Astrophysics Data System (ADS)

Malone, Brad; Kaxiras, Efthimios

2013-03-01

Orthorhombic SnS and GeS are layered materials made of earth-abundant elements which have the potential to play a useful role in the massive scale up of renewable power necessary by 2050 to avoid unmanageable levels of climate change. We report on first principles calculations of the quasiparticle spectra of these two materials, predicting the type and magnitude of the fundamental band gap, a quantity which shows a strong degree of scatter in the experimental literature. Additionally, in order to evaluate the possible role of GeS as an electron-blocking layer in a SnS-based photovoltaic device, we investigate the band offsets of the interfaces between these materials along the three principle crystallographic directions. We find that while the valence-band offsets are similar along the three principle directions, the conduction-band offsets display a substantial amount of anisotropy.

Unified interatomic potential and energy barrier distributions for amorphous oxides.

PubMed

Trinastic, J P; Hamdan, R; Wu, Y; Zhang, L; Cheng, Hai-Ping

2013-10-21

Amorphous tantala, titania, and hafnia are important oxides for biomedical implants, optics, and gate insulators. Understanding the effects of oxide doping is crucial to optimize performance in these applications. However, no molecular dynamics potentials have been created to date that combine these and other oxides that would allow computational analyses of doping-dependent structural and mechanical properties. We report a novel set of computationally efficient, two-body potentials modeling van der Waals and covalent interactions that reproduce the structural and elastic properties of both pure and doped amorphous oxides. In addition, we demonstrate that the potential accurately produces energy barrier distributions for pure and doped samples. The distributions can be directly compared to experiment and used to calculate physical quantities such as internal friction to understand how doping affects material properties. Future analyses using these potentials will be of great value to determine optimal doping concentrations and material combinations for myriad material science applications.

RBS as a new primary direct reference method for measuring quantity of material

NASA Astrophysics Data System (ADS)

Jeynes, C.

2017-09-01

The quantity of material in thin films can be measured reliably, non-destructively, and at an absolute traceable accuracy with a combined standard uncertainty of 1% by Rutherford backscattering spectrometry (RBS). We have demonstrated a measurement protocol for the determination of quantity of material by RBS that has been accredited at this accuracy to the ISO 17025 standard by the United Kingdom Accreditation Service (UKAS). The method is entirely traceable to SI units relying on no artefacts, and thus qualifies as a primary direct reference method as defined by the ISO Guide 35:1985 (paragraph 9.4.1).

Deriving proper measurement uncertainty from Internal Quality Control data: An impossible mission?

PubMed

Ceriotti, Ferruccio

2018-03-30

Measurement uncertainty (MU) is a "non-negative parameter characterizing the dispersion of the quantity values being attributed to a measurand, based on the information used". In the clinical laboratory the most convenient way to calculate MU is the "top down" approach based on the use of Internal Quality Control data. As indicated in the definition, MU depends on the information used for its calculation and so different estimates of MU can be obtained. The most problematic aspect is how to deal with bias. In fact bias is difficult to detect and quantify and it should be corrected including only the uncertainty derived from this correction. Several approaches to calculate MU starting from Internal Quality Control data are presented. The minimum requirement is to use only the intermediate precision data, provided to include 6 months of results obtained with a commutable quality control material at a concentration close to the clinical decision limit. This approach is the minimal requirement and it is convenient for all those measurands that are especially used for monitoring or where a reference measurement system does not exist and so a reference for calculating the bias is lacking. Other formulas including the uncertainty of the value of the calibrator, including the bias from a commutable certified reference material or from a material specifically prepared for trueness verification, including the bias derived from External Quality Assessment schemes or from historical mean of the laboratory are presented and commented. MU is an important parameter, but a single, agreed upon way to calculate it in a clinical laboratory is not yet available. Copyright © 2018 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

27 CFR 24.304 - Chaptalization (Brix adjustment) and amelioration record.

Code of Federal Regulations, 2013 CFR

2013-04-01

... or wine is ameliorated, the quantity of pure dry sugar added to juice will be included as..., the quantity of pure dry sugar added for chaptalization is not considered ameliorating material... quantities will be recorded in wine gallons, and, where sugar is used, the quantity will be determined either...

27 CFR 24.304 - Chaptalization (Brix adjustment) and amelioration record.

Code of Federal Regulations, 2014 CFR

2014-04-01

... or wine is ameliorated, the quantity of pure dry sugar added to juice will be included as..., the quantity of pure dry sugar added for chaptalization is not considered ameliorating material... quantities will be recorded in wine gallons, and, where sugar is used, the quantity will be determined either...

27 CFR 24.304 - Chaptalization (Brix adjustment) and amelioration record.

Code of Federal Regulations, 2012 CFR

2012-04-01

... or wine is ameliorated, the quantity of pure dry sugar added to juice will be included as..., the quantity of pure dry sugar added for chaptalization is not considered ameliorating material... quantities will be recorded in wine gallons, and, where sugar is used, the quantity will be determined either...

27 CFR 24.304 - Chaptalization (Brix adjustment) and amelioration record.

Code of Federal Regulations, 2010 CFR

2010-04-01

... or wine is ameliorated, the quantity of pure dry sugar added to juice will be included as..., the quantity of pure dry sugar added for chaptalization is not considered ameliorating material... quantities will be recorded in wine gallons, and, where sugar is used, the quantity will be determined either...

27 CFR 24.304 - Chaptalization (Brix adjustment) and amelioration record.

Code of Federal Regulations, 2011 CFR

2011-04-01

... or wine is ameliorated, the quantity of pure dry sugar added to juice will be included as..., the quantity of pure dry sugar added for chaptalization is not considered ameliorating material... quantities will be recorded in wine gallons, and, where sugar is used, the quantity will be determined either...

Accurate Monte Carlo modeling of cyclotrons for optimization of shielding and activation calculations in the biomedical field

NASA Astrophysics Data System (ADS)

Infantino, Angelo; Marengo, Mario; Baschetti, Serafina; Cicoria, Gianfranco; Longo Vaschetto, Vittorio; Lucconi, Giulia; Massucci, Piera; Vichi, Sara; Zagni, Federico; Mostacci, Domiziano

2015-11-01

Biomedical cyclotrons for production of Positron Emission Tomography (PET) radionuclides and radiotherapy with hadrons or ions are widely diffused and established in hospitals as well as in industrial facilities and research sites. Guidelines for site planning and installation, as well as for radiation protection assessment, are given in a number of international documents; however, these well-established guides typically offer analytic methods of calculation of both shielding and materials activation, in approximate or idealized geometry set up. The availability of Monte Carlo codes with accurate and up-to-date libraries for transport and interactions of neutrons and charged particles at energies below 250 MeV, together with the continuously increasing power of nowadays computers, makes systematic use of simulations with realistic geometries possible, yielding equipment and site specific evaluation of the source terms, shielding requirements and all quantities relevant to radiation protection. In this work, the well-known Monte Carlo code FLUKA was used to simulate two representative models of cyclotron for PET radionuclides production, including their targetry; and one type of proton therapy cyclotron including the energy selection system. Simulations yield estimates of various quantities of radiological interest, including the effective dose distribution around the equipment, the effective number of neutron produced per incident proton and the activation of target materials, the structure of the cyclotron, the energy degrader, the vault walls and the soil. The model was validated against experimental measurements and comparison with well-established reference data. Neutron ambient dose equivalent H*(10) was measured around a GE PETtrace cyclotron: an average ratio between experimental measurement and simulations of 0.99±0.07 was found. Saturation yield of 18F, produced by the well-known 18O(p,n)18F reaction, was calculated and compared with the IAEA recommended value: a ratio simulation to IAEA of 1.01±0.10 was found.

30 CFR 36.45 - Quantity of ventilating air.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Quantity of ventilating air. 36.45 Section 36... TRANSPORTATION EQUIPMENT Test Requirements § 36.45 Quantity of ventilating air. (a) Results of the engine tests shall be used to calculate ventilation (cubic feet of air per minute) that shall be supplied by positive...

30 CFR 36.45 - Quantity of ventilating air.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Quantity of ventilating air. 36.45 Section 36... TRANSPORTATION EQUIPMENT Test Requirements § 36.45 Quantity of ventilating air. (a) Results of the engine tests shall be used to calculate ventilation (cubic feet of air per minute) that shall be supplied by positive...

30 CFR 36.45 - Quantity of ventilating air.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Quantity of ventilating air. 36.45 Section 36... TRANSPORTATION EQUIPMENT Test Requirements § 36.45 Quantity of ventilating air. (a) Results of the engine tests shall be used to calculate ventilation (cubic feet of air per minute) that shall be supplied by positive...

Bed material transport in the Virgin River, Utah

USGS Publications Warehouse

Andrews, E.D.

2000-01-01

Detailed information concerning the rate and particle size distribution of bed material transport by streamflows can be very difficult and expensive to obtain, especially where peak streamflows are brief and bed material is poorly sorted, including some very large boulders. Such streams, however, are common in steep, arid watersheds. Any computational approach must consider that (1) only the smaller particle sizes present on the streambed move even during large floods and (2) the largest bed particles exert a significant form drag on the flow. Conventional methods that rely on a single particle size to estimate the skin friction shear stress acting on the mobile fraction of the bed material perform poorly. Instead, for this study, the skin friction shear stress was calculated for the observed range of streamflows by calculating the form drag exerted on the reach‐averaged flow field by all particle sizes. Suspended and bed load transported rates computed from reach‐averaged skin friction shear stress are in excellent agreement with measured transport rates. The computed mean annual bed material load, including both bed load and suspended load, of the East Fork Virgin River for the water years 1992‐1996 was approximately 1.3×10 5 t. A large portion of the bed material load consists of sand‐sized particles, 0.062–1.0 mm in diameter, that are transported in suspension. Such particles, however, constituted only 10% of the surface bed material and less than 25% of the subsurface bed material. The mean annual quantity of bed load transported was 1060 t/yr with a median size of 15 mm.

GADRAS Detector Response Function.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mitchell, Dean J.; Harding, Lee; Thoreson, Gregory G

2014-11-01

The Gamma Detector Response and Analysis Software (GADRAS) applies a Detector Response Function (DRF) to compute the output of gamma-ray and neutron detectors when they are exposed to radiation sources. The DRF is fundamental to the ability to perform forward calculations (i.e., computation of the response of a detector to a known source), as well as the ability to analyze spectra to deduce the types and quantities of radioactive material to which the detectors are exposed. This document describes how gamma-ray spectra are computed and the significance of response function parameters that define characteristics of particular detectors.

Thomas-Fermi simulations of dense plasmas without pseudopotentials

NASA Astrophysics Data System (ADS)

Starrett, C. E.

2017-07-01

The Thomas-Fermi model for warm and hot dense matter is widely used to predict material properties such as the equation of state. However, for practical reasons current implementations use pseudopotentials for the electron-nucleus interaction instead of the bare Coulomb potential. This complicates the calculation and quantities such as free energy cannot be converged with respect to the pseudopotential parameters. We present a method that retains the bare Coulomb potential for the electron-nucleus interaction and does not use pseudopotentials. We demonstrate that accurate free energies are obtained by checking variational consistency. Examples for aluminum and iron plasmas are presented.

Morphometric analysis - Cone beam computed tomography to predict bone quality and quantity.

PubMed

Hohlweg-Majert, B; Metzger, M C; Kummer, T; Schulze, D

2011-07-01

Modified quantitative computed tomography is a method used to predict bone quality and quantify the bone mass of the jaw. The aim of this study was to determine whether bone quantity or quality was detected by cone beam computed tomography (CBCT) combined with image analysis. MATERIALS AND PROCEDURES: Different measurements recorded on two phantoms (Siemens phantom, Comac phantom) were evaluated on images taken with the Somatom VolumeZoom (Siemens Medical Solutions, Erlangen, Germany) and the NewTom 9000 (NIM s.r.l., Verona, Italy) in order to calculate a calibration curve. The spatial relationships of six sample cylinders and the repositioning from four pig skull halves relative to adjacent defined anatomical structures were assessed by means of three-dimensional visualization software. The calibration curves for computer tomography (CT) and cone beam computer tomography (CBCT) using the Siemens phantom showed linear correlation in both modalities between the Hounsfield Units (HU) and bone morphology. A correction factor for CBCT was calculated. Exact information about the micromorphology of the bone cylinders was only available using of micro computer tomography. Cone-beam computer tomography is a suitable choice for analysing bone mass, but, it does not give any information about bone quality. 2010 European Association for Cranio-Maxillo-Facial Surgery. Published by Elsevier Ltd. All rights reserved.

Use of bimodal carbon distribution in compacts for producing metallic iron nodules

DOEpatents

Iwasaki, Iwao

2012-10-16

A method for use in production of metallic iron nodules comprising providing a reducible mixture into a hearth furnace for the production of metallic iron nodules, where the reducible mixture comprises a quantity of reducible iron bearing material, a quantity of first carbonaceous reducing material of a size less than about 28 mesh of an amount between about 65 percent and about 95 percent of a stoichiometric amount necessary for complete iron reduction of the reducible iron bearing material, and a quantity of second carbonaceous reducing material with an average particle size greater than average particle size of the first carbonaceous reducing material and a size between about 3 mesh and about 48 mesh of an amount between about 20 percent and about 60 percent of a stoichiometric amount of necessary for complete iron reduction of the reducible iron bearing material.

Use of bimodal carbon distribution in compacts for producing metallic iron nodules

DOEpatents

Iwasaki, Iwao

2014-04-08

A method for use in production of metallic iron nodules comprising providing a reducible mixture into a hearth furnace for the production of metallic iron nodules, where the reducible mixture comprises a quantity of reducible iron bearing material, a quantity of first carbonaceous reducing material of a size less than about 28 mesh of an amount between about 65 percent and about 95 percent of a stoichiometric amount necessary for complete iron reduction of the reducible iron bearing material, and a quantity of second carbonaceous reducing material with an average particle size greater than average particle size of the first carbonaceous reducing material and a size between about 3 mesh and about 48 mesh of an amount between about 20 percent and about 60 percent of a stoichiometric amount of necessary for complete iron reduction of the reducible iron bearing material.

The New Field Quantities and the Poynting Theorem in Material Medium with Magnetic Monopoles

NASA Astrophysics Data System (ADS)

Zor, Ömer

2016-12-01

The duality transformation was used to define the polarization mechanisms that arise from magnetic monopoles. Then, a dimensional analysis was conducted to describe the displacement and magnetic intensity vectors (constitutive equations) in SI units. Finally, symmetric Maxwell equations in a material medium with new field quantities were introduced. Hence, the Lorentz force and the Poynting theorem were defined with these new field quantities, and many possible definitions of them were constructed.

40 CFR 63.1251 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... other direct effect in the diagnosis, cure, mitigation, treatment, or prevention of disease, or to... this section. Consumption means the quantity of all HAP raw materials entering a process in excess of... as added as a raw material, consumption includes the quantity generated in the process. Container, as...

40 CFR 63.1251 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... other direct effect in the diagnosis, cure, mitigation, treatment, or prevention of disease, or to... this section. Consumption means the quantity of all HAP raw materials entering a process in excess of... as added as a raw material, consumption includes the quantity generated in the process. Container, as...

Pattern of mathematic representation ability in magnetic electricity problem

NASA Astrophysics Data System (ADS)

Hau, R. R. H.; Marwoto, P.; Putra, N. M. D.

2018-03-01

The mathematic representation ability in solving magnetic electricity problem gives information about the way students understand magnetic electricity. Students have varied mathematic representation pattern ability in solving magnetic electricity problem. This study aims to determine the pattern of students' mathematic representation ability in solving magnet electrical problems.The research method used is qualitative. The subject of this study is the fourth semester students of UNNES Physics Education Study Program. The data collection is done by giving a description test that refers to the test of mathematical representation ability and interview about field line topic and Gauss law. The result of data analysis of student's mathematical representation ability in solving magnet electric problem is categorized into high, medium and low category. The ability of mathematical representations in the high category tends to use a pattern of making known and asked symbols, writing equations, using quantities of physics, substituting quantities into equations, performing calculations and final answers. The ability of mathematical representation in the medium category tends to use several patterns of writing the known symbols, writing equations, using quantities of physics, substituting quantities into equations, performing calculations and final answers. The ability of mathematical representations in the low category tends to use several patterns of making known symbols, writing equations, substituting quantities into equations, performing calculations and final answer.

Fluctuations of thermodynamic quantities calculated from the fundamental equation of thermodynamics

NASA Astrophysics Data System (ADS)

Yan, Zijun; Chen, Jincan

1992-02-01

On the basis of the probability distribution of the various values of the fluctuation and the fundamental equation of thermodynamics of any given system, a simple and useful method of calculating the fluctuations is presented. By using the method, the fluctuations of thermodynamic quantities can be directly determined from the fundamental equation of thermodynamics. Finally, some examples are given to illustrate the use of the method.

Audiovisual Fundamentals; Basic Equipment Operation and Simple Materials Production.

ERIC Educational Resources Information Center

Bullard, John R.; Mether, Calvin E.

A guide illustrated with simple sketches explains the functions and step-by-step uses of audiovisual (AV) equipment. Principles of projection, audio, AV equipment, lettering, limited-quantity and quantity duplication, and materials preservation are outlined. Apparatus discussed include overhead, opaque, slide-filmstrip, and multiple-loading slide…

49 CFR 173.4a - Excepted quantities.

Code of Federal Regulations, 2011 CFR

2011-10-01

... of withstanding without leakage the pressure differential specified in § 173.27(c) of this part. (b... ice), and lithium batteries and cells. (c) Inner packaging limits. The maximum quantity of hazardous..., rigid outer packaging. (5) Placement of the material in the package or packing different materials in...

Development and Application of Collaborative Optimization Software for Plate - fin Heat Exchanger

NASA Astrophysics Data System (ADS)

Chunzhen, Qiao; Ze, Zhang; Jiangfeng, Guo; Jian, Zhang

2017-12-01

This paper introduces the design ideas of the calculation software and application examples for plate - fin heat exchangers. Because of the large calculation quantity in the process of designing and optimizing heat exchangers, we used Visual Basic 6.0 as a software development carrier to design a basic calculation software to reduce the calculation quantity. Its design condition is plate - fin heat exchanger which was designed according to the boiler tail flue gas. The basis of the software is the traditional design method of the plate-fin heat exchanger. Using the software for design and calculation of plate-fin heat exchangers, discovery will effectively reduce the amount of computation, and similar to traditional methods, have a high value.

Step free energies at faceted solid surfaces: Theory and atomistic calculations for steps on the Cu(111) surface

NASA Astrophysics Data System (ADS)

Freitas, Rodrigo; Frolov, Timofey; Asta, Mark

2017-04-01

A theory for the thermodynamic properties of steps on faceted crystalline surfaces is presented. The formalism leads to the definition of step excess quantities, including an excess step stress that is the step analogy of surface stress. The approach is used to develop a relationship between the temperature dependence of the step free energy (γst) and step excess quantities for energy and stress that can be readily calculated by atomistic simulations. We demonstrate the application of this formalism in thermodynamic-integration (TI) calculations of the step free energy, based on molecular-dynamics simulations, considering <110 > steps on the {111 } surface of a classical potential model for elemental Cu. In this application we employ the Frenkel-Ladd approach to compute the reference value of γst for the TI calculations. Calculated results for excess energy and stress show relatively weak temperature dependencies up to a homologous temperature of approximately 0.6, above which these quantities increase strongly and the step stress becomes more isotropic. From the calculated excess quantities we compute γst over the temperature range from zero up to the melting point (Tm). We find that γst remains finite up to Tm, indicating the absence of a roughening temperature for this {111 } surface facet, but decreases by roughly fifty percent from the zero-temperature value. The strongest temperature dependence occurs above homologous temperatures of approximately 0.6, where the step becomes configurationally disordered due to the formation of point defects and appreciable capillary fluctuations.

Age-dependent biochemical quantities: an approach for calculating reference intervals.

PubMed

Bjerner, J

2007-01-01

A parametric method is often preferred when calculating reference intervals for biochemical quantities, as non-parametric methods are less efficient and require more observations/study subjects. Parametric methods are complicated, however, because of three commonly encountered features. First, biochemical quantities seldom display a Gaussian distribution, and there must either be a transformation procedure to obtain such a distribution or a more complex distribution has to be used. Second, biochemical quantities are often dependent on a continuous covariate, exemplified by rising serum concentrations of MUC1 (episialin, CA15.3) with increasing age. Third, outliers often exert substantial influence on parametric estimations and therefore need to be excluded before calculations are made. The International Federation of Clinical Chemistry (IFCC) currently recommends that confidence intervals be calculated for the reference centiles obtained. However, common statistical packages allowing for the adjustment of a continuous covariate do not make this calculation. In the method described in the current study, Tukey's fence is used to eliminate outliers and two-stage transformations (modulus-exponential-normal) in order to render Gaussian distributions. Fractional polynomials are employed to model functions for mean and standard deviations dependent on a covariate, and the model is selected by maximum likelihood. Confidence intervals are calculated for the fitted centiles by combining parameter estimation and sampling uncertainties. Finally, the elimination of outliers was made dependent on covariates by reiteration. Though a good knowledge of statistical theory is needed when performing the analysis, the current method is rewarding because the results are of practical use in patient care.

Effect of precursor supply on structural and morphological characteristics of fe nanomaterials synthesized via chemical vapor condensation method.

PubMed

Ha, Jong-Keun; Ahn, Hyo-Jun; Kim, Ki-Won; Nam, Tae-Hyun; Cho, Kwon-Koo

2012-01-01

Various physical, chemical and mechanical methods, such as inert gas condensation, chemical vapor condensation, sol-gel, pulsed wire evaporation, evaporation technique, and mechanical alloying, have been used to synthesize nanoparticles. Among them, chemical vapor condensation (CVC) has the benefit of its applicability to almost all materials because a wide range of precursors are available for large-scale production with a non-agglomerated state. In this work, Fe nanoparticles and nanowires were synthesized by chemical vapor condensation method using iron pentacarbonyl (Fe(CO)5) as the precursor. The effect of processing parameters on the microstructure, size and morphology of Fe nanoparticles and nanowires were studied. In particular, we investigated close correlation of size and morphology of Fe nanoparticles and nanowires with atomic quantity of inflow precursor into the electric furnace as the quantitative analysis. The atomic quantity was calculated by Boyle's ideal gas law. The Fe nanoparticles and nanowires with various diameter and morphology have successfully been synthesized by the chemical vapor condensation method.

An approach to derive some simple empirical equations to calibrate nuclear and acoustic well logging tools.

PubMed

Mohammad Al Alfy, Ibrahim

2018-01-01

A set of three pads was constructed from primary materials (sand, gravel and cement) to calibrate the gamma-gamma density tool. A simple equation was devised to convert the qualitative cps values to quantitative g/cc values. The neutron-neutron porosity tool measures the qualitative cps porosity values. A direct equation was derived to calculate the porosity percentage from the cps porosity values. Cement-bond log illustrates the cement quantities, which surround well pipes. This log needs a difficult process due to the existence of various parameters, such as: drilling well diameter as well as internal diameter, thickness and type of well pipes. An equation was invented to calculate the cement percentage at standard conditions. This equation can be modified according to varying conditions. Copyright © 2017 Elsevier Ltd. All rights reserved.

10 CFR 32.18 - Manufacture, distribution and transfer of exempt quantities of byproduct material: Requirements...

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Manufacture, distribution and transfer of exempt... COMMISSION SPECIFIC DOMESTIC LICENSES TO MANUFACTURE OR TRANSFER CERTAIN ITEMS CONTAINING BYPRODUCT MATERIAL Exempt Concentrations and Items § 32.18 Manufacture, distribution and transfer of exempt quantities of...

Environmental Assessment for the Space Based Infrared System (SBIRS) Mission Control Station for Defense Support Program Consolidation

DTIC Science & Technology

1996-04-01

use of products containing hazardous materials (e.g., cleaning products , spray and liquid solvents, toner cartridges, etc.). The total quantity of...products containing hazardous materials (e.g., cleaning products , spray and liquid solvents, toner cartridges, etc.). The total quantity of hazardous

40 CFR 63.2550 - What definitions apply to this subpart?

Code of Federal Regulations, 2012 CFR

2012-07-01

... definition of reconstruction in § 63.2. Consumption means the quantity of all HAP raw materials entering a... the process as well as added as a raw material, consumption includes the quantity generated in the... contain primarily carbon, hydrogen, and oxygen atoms. Organic peroxides means organic compounds containing...

40 CFR 63.2550 - What definitions apply to this subpart?

Code of Federal Regulations, 2014 CFR

2014-07-01

... definition of reconstruction in § 63.2. Consumption means the quantity of all HAP raw materials entering a... the process as well as added as a raw material, consumption includes the quantity generated in the... contain primarily carbon, hydrogen, and oxygen atoms. Organic peroxides means organic compounds containing...

40 CFR 63.2550 - What definitions apply to this subpart?

Code of Federal Regulations, 2011 CFR

2011-07-01

... definition of reconstruction in § 63.2. Consumption means the quantity of all HAP raw materials entering a... the process as well as added as a raw material, consumption includes the quantity generated in the... contain primarily carbon, hydrogen, and oxygen atoms. Organic peroxides means organic compounds containing...

40 CFR 63.2550 - What definitions apply to this subpart?

Code of Federal Regulations, 2013 CFR

2013-07-01

... definition of reconstruction in § 63.2. Consumption means the quantity of all HAP raw materials entering a... the process as well as added as a raw material, consumption includes the quantity generated in the... contain primarily carbon, hydrogen, and oxygen atoms. Organic peroxides means organic compounds containing...

Development of k-300 concrete mix for earthquake-resistant Housing infrastructure in indonesia

NASA Astrophysics Data System (ADS)

Zulkarnain, Fahrizal

2018-03-01

In determining the strength of K-300 concrete mix that is suitable for earthquake-resistant housing infrastructure, it is necessary to research the materials to be used for proper quality and quantity so that the mixture can be directly applied to the resident’s housing, in the quake zone. In the first stage, the examination/sieve analysis of the fine aggregate or sand, and the sieve analysis of the coarse aggregate or gravel will be carried out on the provided sample weighing approximately 40 kilograms. Furthermore, the specific gravity and absorbance of aggregates, the examination of the sludge content of aggregates passing the sieve no. 200, and finally, examination of the weight of the aggregate content. In the second stage, the planned concrete mix by means of the Mix Design K-300 is suitable for use in Indonesia, with implementation steps: Planning of the cement water factor (CWF), Planning of concrete free water (Liters / m3), Planning of cement quantity, Planning of minimum cement content, Planning of adjusted cement water factor, Planning of estimated aggregate composition, Planning of estimated weight of concrete content, Calculation of composition of concrete mixture, Calculation of mixed correction for various water content. Implementation of the above tests also estimates the correction of moisture content and the need for materials of mixture in kilograms for the K-300 mixture, so that the slump inspection result will be achieved in planned 8-12 cm. In the final stage, a compressive strength test of the K-300 experimental mixture is carried out, and subsequently the composition of the K-300 concrete mixture suitable for one sack of cement of 50 kg is obtained for the foundation of the proper dwelling. The composition is consists of use of Cement, Sand, Gravel, and Water.

ELECTRONUCLEAR REACTOR

DOEpatents

Lawrence, E.O.; McMillan, E.M.; Alvarez, L.W.

1960-04-19

An electronuclear reactor is described in which a very high-energy particle accelerator is employed with appropriate target structure to produce an artificially produced material in commercial quantities by nuclear transformations. The principal novelty resides in the combination of an accelerator with a target for converting the accelerator beam to copious quantities of low-energy neutrons for absorption in a lattice of fertile material and moderator. The fertile material of the lattice is converted by neutron absorption reactions to an artificially produced material, e.g., plutonium, where depleted uranium is utilized as the fertile material.

Wavelets in electronic structure calculations

NASA Astrophysics Data System (ADS)

Modisette, Jason Perry

1997-09-01

Ab initio calculations of the electronic structure of bulk materials and large clusters are not possible on today's computers using current techniques. The storage and diagonalization of the Hamiltonian matrix are the limiting factors in both memory and execution time. The scaling of both quantities with problem size can be reduced by using approximate diagonalization or direct minimization of the total energy with respect to the density matrix in conjunction with a localized basis. Wavelet basis members are much more localized than conventional bases such as Gaussians or numerical atomic orbitals. This localization leads to sparse matrices of the operators that arise in SCF multi-electron calculations. We have investigated the construction of the one-electron Hamiltonian, and also the effective one- electron Hamiltonians that appear in density-functional and Hartree-Fock theories. We develop efficient methods for the generation of the kinetic energy and potential matrices, the Hartree and exchange potentials, and the local exchange-correlation potential of the LDA. Test calculations are performed on one-electron problems with a variety of potentials in one and three dimensions.

49 CFR 224.105 - Sheeting dimensions and quantity.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 49 Transportation 4 2012-10-01 2012-10-01 false Sheeting dimensions and quantity. 224.105 Section 224.105 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD..., Inspection, and Maintenance of Retroreflective Material § 224.105 Sheeting dimensions and quantity...

49 CFR 224.105 - Sheeting dimensions and quantity.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 49 Transportation 4 2014-10-01 2014-10-01 false Sheeting dimensions and quantity. 224.105 Section 224.105 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD..., Inspection, and Maintenance of Retroreflective Material § 224.105 Sheeting dimensions and quantity...

49 CFR 224.105 - Sheeting dimensions and quantity.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 49 Transportation 4 2011-10-01 2011-10-01 false Sheeting dimensions and quantity. 224.105 Section 224.105 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD..., Inspection, and Maintenance of Retroreflective Material § 224.105 Sheeting dimensions and quantity...

49 CFR 224.105 - Sheeting dimensions and quantity.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 4 2010-10-01 2010-10-01 false Sheeting dimensions and quantity. 224.105 Section 224.105 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD..., Inspection, and Maintenance of Retroreflective Material § 224.105 Sheeting dimensions and quantity...

49 CFR 224.105 - Sheeting dimensions and quantity.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 4 2013-10-01 2013-10-01 false Sheeting dimensions and quantity. 224.105 Section 224.105 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD..., Inspection, and Maintenance of Retroreflective Material § 224.105 Sheeting dimensions and quantity...

Studying the properties of a predicted tetragonal silicon by first principles

NASA Astrophysics Data System (ADS)

Xue, Han-Yu; Zhang, Can; Pang, Dong-Dong; Huang, Xue-Qian; Lv, Zhen-Long; Duan, Man-Yi

2018-03-01

Silicon is a very important material in many technological fields. It also has a complicated phase diagram of scientific interest. Here we reported a new allotrope of silicon obtained from crystal structure prediction. We studied its electronic, vibrational, dielectric, elastic and hardness properties by first-principles calculations. The results indicate that it is an indirect narrow-band-gap semiconductor. It is dynamically stable with a doubly degenerate infrared-active mode at its Brillouin zone center. Born effective charges of the constituent element are very small, resulting in a negligible ionic dielectric contribution. Calculated elasticity-related quantities imply that it is mechanically stable but anisotropic. There exist slowly increasing stages in the stress-strain curves of this crystal, which make it difficult to estimate the hardness of the crystal by calculating its ideal strengths. Taking advantage of the hardness model proposed by Šimůnek, we obtained a value of 12.0 GPa as its hardness. This value is lower than that of the cubic diamond-structural Si by about 5.5%.

Investigation of thermodynamic and mechanical properties of AlyIn1-yP alloys by statistical moment method

NASA Astrophysics Data System (ADS)

Ha, Vu Thi Thanh; Hung, Vu Van; Hanh, Pham Thi Minh; Tuyen, Nguyen Viet; Hai, Tran Thi; Hieu, Ho Khac

2018-03-01

The thermodynamic and mechanical properties of III-V zinc-blende AlP, InP semiconductors and their alloys have been studied in detail from statistical moment method taking into account the anharmonicity effects of the lattice vibrations. The nearest neighbor distance, thermal expansion coefficient, bulk moduli, specific heats at the constant volume and constant pressure of the zincblende AlP, InP and AlyIn1-yP alloys are calculated as functions of the temperature. The statistical moment method calculations are performed by using the many-body Stillinger-Weber potential. The concentration dependences of the thermodynamic quantities of zinc-blende AlyIn1-yP crystals have also been discussed and compared with those of the experimental results. Our results are reasonable agreement with earlier density functional theory calculations and can provide useful qualitative information for future experiments. The moment method then can be developed extensively for studying the atomistic structure and thermodynamic properties of nanoscale materials as well.

ANITA-2000 activation code package - updating of the decay data libraries and validation on the experimental data of the 14 MeV Frascati Neutron Generator

NASA Astrophysics Data System (ADS)

Frisoni, Manuela

2016-03-01

ANITA-2000 is a code package for the activation characterization of materials exposed to neutron irradiation released by ENEA to OECD-NEADB and ORNL-RSICC. The main component of the package is the activation code ANITA-4M that computes the radioactive inventory of a material exposed to neutron irradiation. The code requires the decay data library (file fl1) containing the quantities describing the decay properties of the unstable nuclides and the library (file fl2) containing the gamma ray spectra emitted by the radioactive nuclei. The fl1 and fl2 files of the ANITA-2000 code package, originally based on the evaluated nuclear data library FENDL/D-2.0, were recently updated on the basis of the JEFF-3.1.1 Radioactive Decay Data Library. This paper presents the results of the validation of the new fl1 decay data library through the comparison of the ANITA-4M calculated values with the measured electron and photon decay heats and activities of fusion material samples irradiated at the 14 MeV Frascati Neutron Generator (FNG) of the NEA-Frascati Research Centre. Twelve material samples were considered, namely: Mo, Cu, Hf, Mg, Ni, Cd, Sn, Re, Ti, W, Ag and Al. The ratios between calculated and experimental values (C/E) are shown and discussed in this paper.

A simultaneous characterization and uncertainty analysis of thermal conductivity and diffusivity of bio-insulate material "Palm date Wood" obtained from a periodic method

NASA Astrophysics Data System (ADS)

Tlijani, M.; Ben Younes, R.; Durastanti, J. F.; Boudenne, A.

2010-11-01

A periodic method is used to determine simultaneously both thermal conductivity and diffusivity of various insulate materials at room temperature. The sample is placed between two metallic plates and temperature modulation is applied on the front side of one of the metallic plates. The temperature at the front and rear sides of both plates is measured and the experimental transfer function is calculated. The theoretical thermal heat transfer function is calculated by the quadripole method. Thermal conductivity and diffusivity are simultaneously identified from both real and imaginary parts of the experimental transfer function. The thermophysical parameters of several wood scale samples obtained from palm wood trees and common trees with unknown thermal properties (E) with different thicknesses were studied. The value identified for the thermal conductivity 0.03 Wm-1 K-1 compared with different insulate solid material such as glass, glass-wool and PVC is much better and close to the air conductivity, It allowed us to consider the wood scale extracted from palm wood trees, bio and renewable material as good heat insulator aiming in the future as a use for lightness applications, insulating or as a reinforcement in a given matrix. These potentialities still unknown are stengthened by the enormous quantity of such kind of wood gathered annually from palm trees and considered as wastes.

Removing the barrier to the calculation of activation energies: Diffusion coefficients and reorientation times in liquid water.

PubMed

Piskulich, Zeke A; Mesele, Oluwaseun O; Thompson, Ward H

2017-10-07

General approaches for directly calculating the temperature dependence of dynamical quantities from simulations at a single temperature are presented. The method is demonstrated for self-diffusion and OH reorientation in liquid water. For quantities which possess an activation energy, e.g., the diffusion coefficient and the reorientation time, the results from the direct calculation are in excellent agreement with those obtained from an Arrhenius plot. However, additional information is obtained, including the decomposition of the contributions to the activation energy. These results are discussed along with prospects for additional applications of the direct approach.

Waste-efficient materials procurement for construction projects: A structural equation modelling of critical success factors.

PubMed

Ajayi, Saheed O; Oyedele, Lukumon O

2018-05-01

Albeit the understanding that construction waste is caused by activities ranging from all stages of project delivery process, research efforts have been concentrated on design and construction stages, while the possibility of reducing waste through materials procurement process is widely neglected. This study aims at exploring and confirming strategies for achieving waste-efficient materials procurement in construction activities. The study employs sequential exploratory mixed method approach as its methodological framework, using focus group discussion, statistical analysis and structural equation modelling. The study suggests that for materials procurement to enhance waste minimisation in construction projects, the procurement process would be characterised by four features. These include suppliers' commitment to low waste measures, low waste purchase management, effective materials delivery management and waste-efficient Bill of Quantity, all of which have significant impacts on waste minimisation. This implies that commitment of materials suppliers to such measures as take back scheme and flexibility in supplying small materials quantity, among others, are expected of materials procurement. While low waste purchase management stipulates the need for such measures as reduced packaging and consideration of pre-assembled/pre-cut materials, efficient delivery management entails effective delivery and storage system as well as adequate protection of materials during the delivery process, among others. Waste-efficient specification and bill of quantity, on the other hand, requires accurate materials take-off and ordering of materials based on accurately prepared design documents and bill of quantity. Findings of this study could assist in understanding a set of measures that should be taken during materials procurement process, thereby corroborating waste management practices at other stages of project delivery process. Copyright © 2018. Published by Elsevier Ltd.

A micro-macro coupling approach of MD-SPH method for reactive energetic materials

NASA Astrophysics Data System (ADS)

Liu, Gui Rong; Wang, Guang Yu; Peng, Qing; De, Suvranu

2017-01-01

The simulation of reactive energetic materials has long been the interest of researchers because of the extensive applications of explosives. Much research has been done on the subject at macro scale in the past and research at micro scale has been initiated recently. Equation of state (EoS) is the relation between physical quantities (pressure, temperature, energy and volume) describing thermodynamic states of materials under a given set of conditions. It plays a significant role in determining the characteristics of energetic materials, including Chapman-Jouguet point and detonation velocity. Furthermore, EoS is the key to connect microscopic and macroscopic phenomenon when simulating the macro effects of an explosion. For instance, an ignition and growth model for high explosives uses two JWL EoSs, one for solid explosive and the other for gaseous products, which are often obtained from experiments that can be quite expensive and hazardous. Therefore, it is ideal to calculate the EoS of energetic materials through computational means. In this paper, the EoSs for both solid and gaseous products of β-HMX are calculated using molecular dynamics simulation with ReaxFF-d3, a reactive force field obtained from quantum mechanics. The microscopic simulation results are then compared with experiments and the continuum ignition and growth model. Good agreement is observed. Then, the EoSs obtained through micro-scale simulation is applied in a smoothed particle hydrodynamics (SPH) code to simulate the macro effects of explosions. Simulation results are compared with experiments.

Stratification calculations in a heated cryogenic oxygen storage tank at zero gravity

NASA Technical Reports Server (NTRS)

Shuttles, J. T.; Smith, G. L.

1971-01-01

A cylindrical one-dimensional model of the Apollo cyrogenic oxygen storage tank has been developed to study the effect of stratification in the tank. Zero gravity was assumed, and only the thermally induced motions were considered. The governing equations were derived from conservation laws and solved on a digital computer. Realistic thermodynamic and transport properties were used. Calculations were made for a wide range of conditions. The results show the fluid behavior to be dependent on the quantity in the tank or equivalently the bulk fluid temperature. For high quantities (low temperatures) the tank pressure rose rapidly with heat addition, the heater temperature remained low, and significant pressure drop potentials accrued. For low quantities the tank pressure rose more slowly with heat addition and the heater temperature became high. A high degree of stratification resulted for all conditions; however, the stratified region extended appreciably into the tank only for the lowest tank quantity.

PCP METHODOLOGY FOR DETERMINING DOSE RATES FOR SMALL GRAM QUANTITIES IN SHIPPING PACKAGINGS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nathan, S.

The Small Gram Quantity (SGQ) concept is based on the understanding that small amounts of hazardous materials, in this case radioactive materials, are significantly less hazardous than large amounts of the same materials. This study describes a methodology designed to estimate an SGQ for several neutron and gamma emitting isotopes that can be shipped in a package compliant with 10 CFR Part 71 external radiation level limits regulations. These regulations require packaging for the shipment of radioactive materials perform, under both normal and accident conditions, the essential functions of material containment, subcriticality, and maintain external radiation levels within regulatory limits.more » 10 CFR 71.33(b)(1)(2)&(3) state radioactive and fissile materials must be identified and their maximum quantity, chemical and physical forms be included in an application. Furthermore, the U.S. Federal Regulations require application contain an evaluation demonstrating the package (i.e., the packaging and its contents) satisfies the external radiation standards for all packages (10 CFR 71.31(2), 71.35(a), & 71.47). By placing the contents in a He leak-tight containment vessel, and limiting the mass to ensure subcriticality, the first two essential functions are readily met. Some isotopes emit sufficiently strong photon radiation that small amounts of material can yield a large external dose rate. Quantifying of the dose rate for a proposed content is a challenging issue for the SGQ approach. It is essential to quantify external radiation levels from several common gamma and neutron sources that can be safely placed in a specific packaging, to ensure compliance with federal regulations. The Packaging Certification Program (PCP) Methodology for Determining Dose Rate for Small Gram Quantities in Shipping Packagings described in this report provides bounding mass limits for a set of proposed SGQ isotopes. Methodology calculations were performed to estimate external radiation levels for the 9977 shipping package using the MCNP radiation transport code to develop a set of response multipliers (Green's functions) for 'dose per particle' for each neutron and photon spectral group. The source spectrum for each isotope generated using the ORIGEN-S and RASTA computer codes was folded with the response multipliers to generate the dose rate per gram of each isotope in the 9977 shipping package and its associated shielded containers. The maximum amount of a single isotope that could be shipped within the regulatory limits contained in 10 CFR 71.47 for dose rate at the surface of the package is determined. If a package contains a mixture of isotopes, the acceptability for shipment can be determined by a sum of fractions approach. Furthermore, the results of this analysis can be easily extended to additional radioisotopes by simply evaluating the neutron and/or photon spectra of those isotopes and folding the spectral data with the Green's functions provided.« less

Galactic Cosmic Ray Event-Based Risk Model (GERM) Code

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Plante, Ianik; Ponomarev, Artem L.; Kim, Myung-Hee Y.

2013-01-01

This software describes the transport and energy deposition of the passage of galactic cosmic rays in astronaut tissues during space travel, or heavy ion beams in patients in cancer therapy. Space radiation risk is a probability distribution, and time-dependent biological events must be accounted for physical description of space radiation transport in tissues and cells. A stochastic model can calculate the probability density directly without unverified assumptions about shape of probability density function. The prior art of transport codes calculates the average flux and dose of particles behind spacecraft and tissue shielding. Because of the signaling times for activation and relaxation in the cell and tissue, transport code must describe temporal and microspatial density of functions to correlate DNA and oxidative damage with non-targeted effects of signals, bystander, etc. These are absolutely ignored or impossible in the prior art. The GERM code provides scientists data interpretation of experiments; modeling of beam line, shielding of target samples, and sample holders; and estimation of basic physical and biological outputs of their experiments. For mono-energetic ion beams, basic physical and biological properties are calculated for a selected ion type, such as kinetic energy, mass, charge number, absorbed dose, or fluence. Evaluated quantities are linear energy transfer (LET), range (R), absorption and fragmentation cross-sections, and the probability of nuclear interactions after 1 or 5 cm of water equivalent material. In addition, a set of biophysical properties is evaluated, such as the Poisson distribution for a specified cellular area, cell survival curves, and DNA damage yields per cell. Also, the GERM code calculates the radiation transport of the beam line for either a fixed number of user-specified depths or at multiple positions along the Bragg curve of the particle in a selected material. The GERM code makes the numerical estimates of basic physical and biophysical quantities of high-energy protons and heavy ions that have been studied at the NASA Space Radiation Laboratory (NSRL) for the purpose of simulating space radiation biological effects. In the first option, properties of monoenergetic beams are treated. In the second option, the transport of beams in different materials is treated. Similar biophysical properties as in the first option are evaluated for the primary ion and its secondary particles. Additional properties related to the nuclear fragmentation of the beam are evaluated. The GERM code is a computationally efficient Monte-Carlo heavy-ion-beam model. It includes accurate models of LET, range, residual energy, and straggling, and the quantum multiple scattering fragmentation (QMSGRG) nuclear database.

First principles calculation of finite temperature magnetism in Fe and Fe3C

NASA Astrophysics Data System (ADS)

Eisenbach, M.; Nicholson, D. M.; Rusanu, A.; Brown, G.

2011-04-01

Density functional calculations have proven to be a useful tool in the study of ground state properties of many materials. The investigation of finite temperature magnetism, on the other hand, has to rely usually on the usage of empirical models that allow the large number of evaluations of the systems Hamiltonian that are required to obtain the phase space sampling needed to obtain the free energy, specific heat, magnetization, susceptibility, and other quantities as function of temperature. We have demonstrated a solution to this problem that harnesses the computational power of today's large massively parallel computers by combining a classical Wang-Landau Monte-Carlo calculation [F. Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001)] with our first principles multiple scattering electronic structure code [Y. Wang et al., Phys. Rev. Lett. 75, 2867 (1995)] that allows the energy calculation of constrained magnetic states [M. Eisenbach et al., Proceedings of the Conference on High Performance Computing, Networking, Storage and Analysis (ACM, New York, 2009)]. We present our calculations of finite temperature properties of Fe and Fe3C using this approach and we find the Curie temperatures to be 980 and 425K, respectively.

10 CFR 37.77 - Advance notification of shipment of category 1 quantities of radioactive material.

Code of Federal Regulations, 2014 CFR

2014-01-01

... Policy, Office of Nuclear Security and Incident Response, U.S. Nuclear Regulatory Commission, Washington... 10 Energy 1 2014-01-01 2014-01-01 false Advance notification of shipment of category 1 quantities of radioactive material. 37.77 Section 37.77 Energy NUCLEAR REGULATORY COMMISSION PHYSICAL PROTECTION...

78 FR 16921 - Physical Protection of Byproduct Material

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-19

... 1 and category 2 thresholds are based on the quantities established by the International Atomic... orders that were issued to licensees using a graded approach based on the relative risk and quantity of... 5,400 Ytterbium-169 300 8,100 3 81.0 These materials and thresholds are based on the IAEA Code of...

Cracking of coated materials under transient thermal stresses

NASA Technical Reports Server (NTRS)

Rizk, A. A.; Erdogan, Fazil

1988-01-01

The crack problem for a relatively thin layer bonded to a very thick substrate under thermal shock conditions is considered. The effect of surface cooling rate is studied by assuming the temperature boundary condition to be a ramp function. Among the crack geometries considered are the edge crack in the coating layer, the broken layer, the edge crack going through the interface, the undercoat crack in the substrate and the embedded crack crossing the interface. The primary calculated quantity is the stress intensity factor at various singular points and the main variables are the relative sizes and locations of cracks, the time, and the duration of the cooling ramp. The problem is solved and rather extensive results are given for two material pairs, namely a stainless steel layer welded on a ferritic medium and a ceramic coating on a steel substrate.

Cracking of coated materials under transient thermal stresses

NASA Technical Reports Server (NTRS)

Rizk, A. A.; Erdogan, F.

1989-01-01

The crack problem for a relatively thin layer bonded to a very thick substrate under thermal shock conditions is considered. The effect of surface cooling rate is studied by assuming the temperature boundary condition to be a ramp function. Among the crack geometries considered are the edge crack in the coating layer, the broken layer, the edge crack going through the interface, the undercoat crack in the substrate and the embedded crack crossing the interface. The primary calculated quantity is the stress intensity factor at various singular points and the main variables are the relative sizes and locations of cracks, the time, and the duration of the cooling ramp. The problem is solved and rather extensive results are given for two material pairs, namely a stainless steel layer welded on a ferritic medium and a ceramic coating on a steel substrate.

Measuring the rebound resilience of a bouncing ball

NASA Astrophysics Data System (ADS)

Wadhwa, Ajay

2012-09-01

Some balls which are made of high-quality rubber (an elastomeric) material, such as tennis or squash balls, could be used for the determination of an important property of such materials called resilience. Since a bouncing ball involves a single impact we call this property 'rebound resilience' and express it as the ratio of the rebound height to the initial drop height of the ball. We determine the rebound resilience for three different types of ball by calculating the coefficient of restitution of the ball-surface combination from the experimentally measurable physical quantities, such as initial drop height and time interval between successive bounces. Using these we also determine the contact time of balls with the surface of impact. For measurements we have used audio, motion and surface-temperature sensors that were interfaced through a USB port with a computer.

Methods of making bainitic steel materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bakas, Michael Paul; Chu, Henry Shiu-Hung; Zagula, Thomas Andrew

Methods of making bainitic steels may involve austenitizing a quantity of steel by exposing the quantity of steel to a first temperature. A composition of the quantity of steel may be configured to impede formation of non-bainite ferrite, pearlite, and Widmanstatten ferrite. The quantity of steel may be heat-treated to form bainite by exposing the quantity of steel to a second, lower temperature. The second, lower temperature may be stabilized by exposing the quantity of steel to the second, lower temperature in the presence of a thermal ballast.

A GREEN'S FUNCTION APPROACH FOR DETERMINING DOSE RATES FOR SMALL GRAM QUANTITIES IN SHIPPING PACKAGINGS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nathan, S.

The Small Gram Quantity (SGQ) concept is based on the understanding that small amounts of hazardous materials, in this case radioactive materials (RAM), are significantly less hazardous than large amounts of the same materials. This paper describes a methodology designed to estimate an SGQ for several neutron and gamma emitting isotopes that can be shipped in a package in compliance with 10 CFR Part 71 external radiation level limits regulations. The neutron and photon sources were calculated using both ORIGEN-S and RASTA. The response from a unit source in each neutron and photon group was calculated using MCNP5 with eachmore » unshielded and shielded container configuration. Effects of self-shielding on both neutron and photon response were evaluated by including either plutonium oxide or iron in the source region for the case with no shielded container. For the cases of actinides mixed with light elements, beryllium is the bounding light element. The added beryllium (10 to 90 percent of the actinide mass) in the cases studied represents between 9 and 47 percent concentration of the total mixture mass. For beryllium concentrations larger than 50 percent, the increase in the neutron source term and dose rate tend to increase at a much lower rate than at concentrations lower than 50%. The intimately mixed actinide-beryllium form used in these models is very conservative and thus the limits presented in this report are practical bounds on the mass that can be safely shipped. The calculated dose rate from one gram of each isotope was then used to determin the maximum amount of a single isotope that could be shipped in the Model 9977 Package (or packagings having the same or larger external dimensions as well as similar structural materials) and have the external radiation level within the regulatory dose limits at the surface of the package. The estimates of the mass limits presented would also serve as conservative limits for both the Models 9975 and 9978 packages. If a package contains a mixture of isotopes, the acceptability for shipment can be determined by a sum of fractions approach. It should be noted that the SGQ masses presented in this report represent limits that would comply with the external radiation limits under 10CFR Part 71. They do not necessarily bound lower limits that may be required to comply with other factors such as heat load of the package.« less

Covariances for the 56Fe radiation damage cross sections

NASA Astrophysics Data System (ADS)

Simakov, Stanislav P.; Koning, Arjan; Konobeyev, Alexander Yu.

2017-09-01

The energy-energy and reaction-reaction covariance matrices were calculated for the n + 56Fe damage cross-sections by Total Monte Carlo method using the TENDL-2013 random files. They were represented in the ENDF-6 format and added to the unperturbed evaluation file. The uncertainties for the spectrum averaged radiation quantities in the representative fission, fusion and spallation facilities were first time assessed as 5-25%. Additional 5 to 20% have to be added to the atom displacement rate uncertainties to account for accuracy of the primary defects simulation in materials. The reaction-reaction correlation were shown to be 1% or less.

Polarization Change in Face-Centered Cubic Opal Films

NASA Astrophysics Data System (ADS)

Wolff, Christian; Romanov, Sergei; Küchenmeister, Jens; Peschel, Ulf; Busch, Kurt

2011-10-01

Artificial opals are a popular platform for investigating fundamental properties of Photonic Crystals (PhC). In this work, we provide a theoretical analysis of polarization-resolved transmission experiments through thin opal films. Despite the full cubic symmetry of the PhC, this system provides a very efficient mechanism for manipulating the polarization state of light. Based on band structure calculations and Bloch mode analysis, we find that this effect closely resembles classical birefringence. Due to the cubic symmetry, however, a description using tensorial quantities is not possible. This indicates fundamental limitations of effective material models for Photonic Crystals and demonstrates the importance of accurately modelling the microscopic geometry of such systems.

Estimates of the thermal conductivity and the thermoelectric properties of PbTiO3 from first principles

NASA Astrophysics Data System (ADS)

Roy, Anindya

2016-03-01

The lattice thermal conductivity (κL) of PbTiO3 is estimated using a combination of ab initio calculations and the semiclassical Boltzmann transport equation. The computed κL is remarkably low, nearly comparable with the κL of good thermoelectric materials such as PbTe. In addition, a semiclassical analysis of the electronic transport quantities is presented, which suggests excellent thermoelectric properties, with a figure of merit z T well over 1 for a wide range of temperatures. For thermoelectric applications, the κL could be further reduced by utilizing different morphologies and compositions.

The Weighted Burgers Vector: a new quantity for constraining dislocation densities and types using electron backscatter diffraction on 2D sections through crystalline materials.

PubMed

Wheeler, J; Mariani, E; Piazolo, S; Prior, D J; Trimby, P; Drury, M R

2009-03-01

The Weighted Burgers Vector (WBV) is defined here as the sum, over all types of dislocations, of [(density of intersections of dislocation lines with a map) x (Burgers vector)]. Here we show that it can be calculated, for any crystal system, solely from orientation gradients in a map view, unlike the full dislocation density tensor, which requires gradients in the third dimension. No assumption is made about gradients in the third dimension and they may be non-zero. The only assumption involved is that elastic strains are small so the lattice distortion is entirely due to dislocations. Orientation gradients can be estimated from gridded orientation measurements obtained by EBSD mapping, so the WBV can be calculated as a vector field on an EBSD map. The magnitude of the WBV gives a lower bound on the magnitude of the dislocation density tensor when that magnitude is defined in a coordinate invariant way. The direction of the WBV can constrain the types of Burgers vectors of geometrically necessary dislocations present in the microstructure, most clearly when it is broken down in terms of lattice vectors. The WBV has three advantages over other measures of local lattice distortion: it is a vector and hence carries more information than a scalar quantity, it has an explicit mathematical link to the individual Burgers vectors of dislocations and, since it is derived via tensor calculus, it is not dependent on the map coordinate system. If a sub-grain wall is included in the WBV calculation, the magnitude of the WBV becomes dependent on the step size but its direction still carries information on the Burgers vectors in the wall. The net Burgers vector content of dislocations intersecting an area of a map can be simply calculated by an integration round the edge of that area, a method which is fast and complements point-by-point WBV calculations.

27 CFR 555.213 - Quantity and storage restrictions.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 27 Alcohol, Tobacco Products and Firearms 3 2014-04-01 2014-04-01 false Quantity and storage..., FIREARMS, AND EXPLOSIVES, DEPARTMENT OF JUSTICE EXPLOSIVES COMMERCE IN EXPLOSIVES Storage § 555.213 Quantity and storage restrictions. (a) Explosive materials in excess of 300,000 pounds or detonators in...

27 CFR 555.213 - Quantity and storage restrictions.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 27 Alcohol, Tobacco Products and Firearms 3 2013-04-01 2013-04-01 false Quantity and storage..., FIREARMS, AND EXPLOSIVES, DEPARTMENT OF JUSTICE EXPLOSIVES COMMERCE IN EXPLOSIVES Storage § 555.213 Quantity and storage restrictions. (a) Explosive materials in excess of 300,000 pounds or detonators in...

27 CFR 555.213 - Quantity and storage restrictions.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 27 Alcohol, Tobacco Products and Firearms 3 2011-04-01 2010-04-01 true Quantity and storage..., FIREARMS, AND EXPLOSIVES, DEPARTMENT OF JUSTICE EXPLOSIVES COMMERCE IN EXPLOSIVES Storage § 555.213 Quantity and storage restrictions. (a) Explosive materials in excess of 300,000 pounds or detonators in...

The cost analysis of material handling in Chinese traditional praying paper production plant

NASA Astrophysics Data System (ADS)

Nasution, H.; Budiman, I.; Salim, A.

2018-02-01

Chinese traditional praying paper industry is an industry which produced Chinese traditional religion praying paper. This kind of industry is rarely examined since it was only in Small and Medium Enterprise (SME’s- form). This industry produced various kinds of Chinese traditional paper products. The purpose of this research is to increase the amount of production, reduce waiting time and moving time, and reduce material handling cost. The research was conducted at prime production activities, consists of: calculate the capacity of the material handler, the frequency of movement, cost of material handling, and total cost of material handling. This displacement condition leads to an ineffective and inefficient production process. The alternative was developed using production judgment and aisle standard. Based on the observation results, it is possible to reduce displacement in the production. Using alternative which by-passed displacement from a rolled paper in the temporary warehouse to cutting and printing workstation, it can reduce material handling cost from 2.26 million rupiahs to 2.00 million rupiahs only for each batch of production. This result leads to increasing of production quantity, reducing waiting and moving time about 10% from the current condition.

The material footprint of nations

PubMed Central

Wiedmann, Thomas O.; Schandl, Heinz; Lenzen, Manfred; Moran, Daniel; Suh, Sangwon; West, James; Kanemoto, Keiichiro

2015-01-01

Metrics on resource productivity currently used by governments suggest that some developed countries have increased the use of natural resources at a slower rate than economic growth (relative decoupling) or have even managed to use fewer resources over time (absolute decoupling). Using the material footprint (MF), a consumption-based indicator of resource use, we find the contrary: Achievements in decoupling in advanced economies are smaller than reported or even nonexistent. We present a time series analysis of the MF of 186 countries and identify material flows associated with global production and consumption networks in unprecedented specificity. By calculating raw material equivalents of international trade, we demonstrate that countries’ use of nondomestic resources is, on average, about threefold larger than the physical quantity of traded goods. As wealth grows, countries tend to reduce their domestic portion of materials extraction through international trade, whereas the overall mass of material consumption generally increases. With every 10% increase in gross domestic product, the average national MF increases by 6%. Our findings call into question the sole use of current resource productivity indicators in policy making and suggest the necessity of an additional focus on consumption-based accounting for natural resource use. PMID:24003158

The material footprint of nations.

PubMed

Wiedmann, Thomas O; Schandl, Heinz; Lenzen, Manfred; Moran, Daniel; Suh, Sangwon; West, James; Kanemoto, Keiichiro

2015-05-19

Metrics on resource productivity currently used by governments suggest that some developed countries have increased the use of natural resources at a slower rate than economic growth (relative decoupling) or have even managed to use fewer resources over time (absolute decoupling). Using the material footprint (MF), a consumption-based indicator of resource use, we find the contrary: Achievements in decoupling in advanced economies are smaller than reported or even nonexistent. We present a time series analysis of the MF of 186 countries and identify material flows associated with global production and consumption networks in unprecedented specificity. By calculating raw material equivalents of international trade, we demonstrate that countries' use of nondomestic resources is, on average, about threefold larger than the physical quantity of traded goods. As wealth grows, countries tend to reduce their domestic portion of materials extraction through international trade, whereas the overall mass of material consumption generally increases. With every 10% increase in gross domestic product, the average national MF increases by 6%. Our findings call into question the sole use of current resource productivity indicators in policy making and suggest the necessity of an additional focus on consumption-based accounting for natural resource use.

Separation, identification, quantification, and method validation of anthocyanins in botanical supplement raw materials by HPLC and HPLC-MS.

PubMed

Chandra, A; Rana, J; Li, Y

2001-08-01

A method has been established and validated for identification and quantification of individual, as well as total, anthocyanins by HPLC and LC/ES-MS in botanical raw materials used in the herbal supplement industry. The anthocyanins were separated and identified on the basis of their respective M(+) (cation) using LC/ES-MS. Separated anthocyanins were individually calculated against one commercially available anthocyanin external standard (cyanidin-3-glucoside chloride) and expressed as its equivalents. Amounts of each anthocyanin calculated as external standard equivalent were then multiplied by a molecular-weight correction factor to afford their specific quantities. Experimental procedures and use of a molecular-weight correction factors are substantiated and validated using Balaton tart cherry and elderberry as templates. Cyanidin-3-glucoside chloride has been widely used in the botanical industry to calculate total anthocyanins. In our studies on tart cherry and elderberry, its use as external standard followed by use of molecular-weight correction factors should provide relatively accurate results for total anthocyanins, because of the presence of cyanidin as their major anthocyanidin backbone. The method proposed here is simple and has a direct sample preparation procedure without any solid-phase extraction. It enables selection and use of commercially available anthocyanins as external standards for quantification of specific anthocyanins in the sample matrix irrespective of their commercial availability as analytical standards. It can be used as a template and applied for similar quantification in several anthocyanin-containing raw materials for routine quality control procedures, thus providing consistency in analytical testing of botanical raw materials used for manufacturing efficacious and true-to-the-label nutritional supplements.

Accelerator-based method of producing isotopes

DOEpatents

Nolen, Jr., Jerry A.; Gomes, Itacil C.

2015-11-03

The invention provides a method using accelerators to produce radio-isotopes in high quantities. The method comprises: supplying a "core" of low-enrichment fissile material arranged in a spherical array of LEU combined with water moderator. The array is surrounded by substrates which serve as multipliers and moderators as well as neutron shielding substrates. A flux of neutrons enters the low-enrichment fissile material and causes fissions therein for a time sufficient to generate desired quantities of isotopes from the fissile material. The radio-isotopes are extracted from said fissile material by chemical processing or other means.

Special nuclear material simulation device

DOEpatents

Leckey, John H.; DeMint, Amy; Gooch, Jack; Hawk, Todd; Pickett, Chris A.; Blessinger, Chris; York, Robbie L.

2014-08-12

An apparatus for simulating special nuclear material is provided. The apparatus typically contains a small quantity of special nuclear material (SNM) in a configuration that simulates a much larger quantity of SNM. Generally the apparatus includes a spherical shell that is formed from an alloy containing a small quantity of highly enriched uranium. Also typically provided is a core of depleted uranium. A spacer, typically aluminum, may be used to separate the depleted uranium from the shell of uranium alloy. A cladding, typically made of titanium, is provided to seal the source. Methods are provided to simulate SNM for testing radiation monitoring portals. Typically the methods use at least one primary SNM spectral line and exclude at least one secondary SNM spectral line.

Methodology comparison for gamma-heating calculations in material-testing reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lemaire, M.; Vaglio-Gaudard, C.; Lyoussi, A.

2015-07-01

The Jules Horowitz Reactor (JHR) is a Material-Testing Reactor (MTR) under construction in the south of France at CEA Cadarache (French Alternative Energies and Atomic Energy Commission). It will typically host about 20 simultaneous irradiation experiments in the core and in the beryllium reflector. These experiments will help us better understand the complex phenomena occurring during the accelerated ageing of materials and the irradiation of nuclear fuels. Gamma heating, i.e. photon energy deposition, is mainly responsible for temperature rise in non-fuelled zones of nuclear reactors, including JHR internal structures and irradiation devices. As temperature is a key parameter for physicalmore » models describing the behavior of material, accurate control of temperature, and hence gamma heating, is required in irradiation devices and samples in order to perform an advanced suitable analysis of future experimental results. From a broader point of view, JHR global attractiveness as a MTR depends on its ability to monitor experimental parameters with high accuracy, including gamma heating. Strict control of temperature levels is also necessary in terms of safety. As JHR structures are warmed up by gamma heating, they must be appropriately cooled down to prevent creep deformation or melting. Cooling-power sizing is based on calculated levels of gamma heating in the JHR. Due to these safety concerns, accurate calculation of gamma heating with well-controlled bias and associated uncertainty as low as possible is all the more important. There are two main kinds of calculation bias: bias coming from nuclear data on the one hand and bias coming from physical approximations assumed by computer codes and by general calculation route on the other hand. The former must be determined by comparison between calculation and experimental data; the latter by calculation comparisons between codes and between methodologies. In this presentation, we focus on this latter kind of bias. Nuclear heating is represented by the physical quantity called absorbed dose (energy deposition induced by particle-matter interactions, divided by mass). Its calculation with Monte Carlo codes is possible but computationally expensive as it requires transport simulation of charged particles, along with neutrons and photons. For that reason, the calculation of another physical quantity, called KERMA, is often preferred, as KERMA calculation with Monte Carlo codes only requires transport of neutral particles. However, KERMA is only an estimator of the absorbed dose and many conditions must be fulfilled for KERMA to be equal to absorbed dose, including so-called condition of electronic equilibrium. Also, Monte Carlo computations of absorbed dose still present some physical approximations, even though there is only a limited number of them. Some of these approximations are linked to the way how Monte Carlo codes apprehend the transport simulation of charged particles and the productive and destructive interactions between photons, electrons and positrons. There exists a huge variety of electromagnetic shower models which tackle this topic. Differences in the implementation of these models can lead to discrepancies in calculated values of absorbed dose between different Monte Carlo codes. The magnitude of order of such potential discrepancies should be quantified for JHR gamma-heating calculations. We consequently present a two-pronged plan. In a first phase, we intend to perform compared absorbed dose / KERMA Monte Carlo calculations in the JHR. This way, we will study the presence or absence of electronic equilibrium in the different JHR structures and experimental devices and we will give recommendations for the choice of KERMA or absorbed dose when calculating gamma heating in the JHR. In a second phase, we intend to perform compared TRIPOLI4 / MCNP absorbed dose calculations in a simplified JHR-representative geometry. For this comparison, we will use the same nuclear data library for both codes (the European library JEFF3.1.1 and photon library EPDL97) so as to isolate the effects from electromagnetic shower models on absorbed dose calculation. This way, we hope to get insightful feedback on these models and their implementation in Monte Carlo codes. (authors)« less

Application of the GA-BP Neural Network in Earthwork Calculation

NASA Astrophysics Data System (ADS)

Fang, Peng; Cai, Zhixiong; Zhang, Ping

2018-01-01

The calculation of earthwork quantity is the key factor to determine the project cost estimate and the optimization of the scheme. It is of great significance and function in the excavation of earth and rock works. We use optimization principle of GA-BP intelligent algorithm running process, and on the basis of earthwork quantity and cost information database, the design of the GA-BP neural network intelligent computing model, through the network training and learning, the accuracy of the results meet the actual engineering construction of gauge fan requirements, it provides a new approach for other projects the calculation, and has good popularization value.

Sustainability evaluation of Sicily's lemon and orange production: an energy, economic and environmental analysis.

PubMed

Pergola, M; D'Amico, M; Celano, G; Palese, A M; Scuderi, A; Di Vita, G; Pappalardo, G; Inglese, P

2013-10-15

The island of Sicily has a long standing tradition in citrus growing. We evaluated the sustainability of orange and lemon orchards, under organic and conventional farming, using an energy, environmental and economic analysis of the whole production cycle by using a life cycle assessment approach. These orchard systems differ only in terms of a few of the inputs used and the duration of the various agricultural operations. The quantity of energy consumption in the production cycle was calculated by multiplying the quantity of inputs used by the energy conversion factors drawn from the literature. The production costs were calculated considering all internal costs, including equipment, materials, wages, and costs of working capital. The performance of the two systems (organic and conventional), was compared over a period of fifty years. The results, based on unit surface area (ha) production, prove the stronger sustainability of the organic over the conventional system, both in terms of energy consumption and environmental impact, especially for lemons. The sustainability of organic systems is mainly due to the use of environmentally friendly crop inputs (fertilizers, not use of synthetic products, etc.). In terms of production costs, the conventional management systems were more expensive, and both systems were heavily influenced by wages. In terms of kg of final product, the organic production system showed better environmental and energy performances. Copyright © 2013 Elsevier Ltd. All rights reserved.

Augmented Topological Descriptors of Pore Networks for Material Science.

PubMed

Ushizima, D; Morozov, D; Weber, G H; Bianchi, A G C; Sethian, J A; Bethel, E W

2012-12-01

One potential solution to reduce the concentration of carbon dioxide in the atmosphere is the geologic storage of captured CO2 in underground rock formations, also known as carbon sequestration. There is ongoing research to guarantee that this process is both efficient and safe. We describe tools that provide measurements of media porosity, and permeability estimates, including visualization of pore structures. Existing standard algorithms make limited use of geometric information in calculating permeability of complex microstructures. This quantity is important for the analysis of biomineralization, a subsurface process that can affect physical properties of porous media. This paper introduces geometric and topological descriptors that enhance the estimation of material permeability. Our analysis framework includes the processing of experimental data, segmentation, and feature extraction and making novel use of multiscale topological analysis to quantify maximum flow through porous networks. We illustrate our results using synchrotron-based X-ray computed microtomography of glass beads during biomineralization. We also benchmark the proposed algorithms using simulated data sets modeling jammed packed bead beds of a monodispersive material.

Technique for Performing Dielectric Property Measurements at Microwave Frequencies

NASA Technical Reports Server (NTRS)

Barmatz, Martin B.; Jackson, Henry W.

2010-01-01

A paper discusses the need to perform accurate dielectric property measurements on larger sized samples, particularly liquids at microwave frequencies. These types of measurements cannot be obtained using conventional cavity perturbation methods, particularly for liquids or powdered or granulated solids that require a surrounding container. To solve this problem, a model has been developed for the resonant frequency and quality factor of a cylindrical microwave cavity containing concentric cylindrical samples. This model can then be inverted to obtain the real and imaginary dielectric constants of the material of interest. This approach is based on using exact solutions to Maxwell s equations for the resonant properties of a cylindrical microwave cavity and also using the effective electrical conductivity of the cavity walls that is estimated from the measured empty cavity quality factor. This new approach calculates the complex resonant frequency and associated electromagnetic fields for a cylindrical microwave cavity with lossy walls that is loaded with concentric, axially aligned, lossy dielectric cylindrical samples. In this approach, the calculated complex resonant frequency, consisting of real and imaginary parts, is related to the experimentally measured quantities. Because this approach uses Maxwell's equations to determine the perturbed electromagnetic fields in the cavity with the material(s) inserted, one can calculate the expected wall losses using the fields for the loaded cavity rather than just depending on the value of the fields obtained from the empty cavity quality factor. These additional calculations provide a more accurate determination of the complex dielectric constant of the material being studied. The improved approach will be particularly important when working with larger samples or samples with larger dielectric constants that will further perturb the cavity electromagnetic fields. Also, this approach enables the ability to have a larger sample of interest, such as a liquid or powdered or granulated solid, inside a cylindrical container.

46 CFR 108.439 - Quantity of CO2 for protection of spaces.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 4 2012-10-01 2012-10-01 false Quantity of CO2 for protection of spaces. 108.439... Systems § 108.439 Quantity of CO2 for protection of spaces. (a) The number of pounds of CO2 required to... calculated using the reductions allowed in 46 CFR 95.10-5(e). (c) If fuel can drain from a space to an...

46 CFR 108.439 - Quantity of CO2 for protection of spaces.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 4 2010-10-01 2010-10-01 false Quantity of CO2 for protection of spaces. 108.439... Systems § 108.439 Quantity of CO2 for protection of spaces. (a) The number of pounds of CO2 required to... calculated using the reductions allowed in 46 CFR 95.10-5(e). (c) If fuel can drain from a space to an...

46 CFR 108.439 - Quantity of CO2 for protection of spaces.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 4 2014-10-01 2014-10-01 false Quantity of CO2 for protection of spaces. 108.439... Systems § 108.439 Quantity of CO2 for protection of spaces. (a) The number of pounds of CO2 required to... calculated using the reductions allowed in 46 CFR 95.10-5(e). (c) If fuel can drain from a space to an...

46 CFR 108.439 - Quantity of CO2 for protection of spaces.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 4 2011-10-01 2011-10-01 false Quantity of CO2 for protection of spaces. 108.439... Systems § 108.439 Quantity of CO2 for protection of spaces. (a) The number of pounds of CO2 required to... calculated using the reductions allowed in 46 CFR 95.10-5(e). (c) If fuel can drain from a space to an...

46 CFR 108.439 - Quantity of CO2 for protection of spaces.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 4 2013-10-01 2013-10-01 false Quantity of CO2 for protection of spaces. 108.439... Systems § 108.439 Quantity of CO2 for protection of spaces. (a) The number of pounds of CO2 required to... calculated using the reductions allowed in 46 CFR 95.10-5(e). (c) If fuel can drain from a space to an...

Analysis of material flow in a utillzation technology of low grade manganese ore and sulphur coal complementary

NASA Astrophysics Data System (ADS)

Wang, Bo-Zhi; Deng, Biao; Su, Shi-Jun; Ding, Sang-Lan; Sun, Wei-Yi

2018-03-01

Electrolytic manganese is conventionally produced through low-grade manganese ore leaching in SO2, with the combustion of high sulfur coal. Subsequently the coal ash and manganese slag, produced by the combustion of high sulfur coal and preparation of electrolytic manganese, can be used as raw ingredients for the preparation of sulphoaluminate cement. In order to realize the `coal-electricity-sulfur-manganese-building material' system of complementary resource utilization, the conditions of material inflow and outflow in each process were determined using material flow analysis. The material flow models in each unit and process can be obtained by analyzed of material flow for new technology, and the input-output model could be obtained. Through the model, it is possible to obtain the quantity of all the input and output material in the condition of limiting the quantity of a substance. Taking one ton electrolytic manganese as a basis, the quantity of other input material and cements can be determined with the input-output model. The whole system had thusly achieved a cleaner production level. Therefore, the input-output model can be used for guidance in practical production.

On the Formal-Logical Analysis of the Foundations of Mathematics Applied to Problems in Physics

NASA Astrophysics Data System (ADS)

Kalanov, Temur Z.

2016-03-01

Analysis of the foundations of mathematics applied to problems in physics was proposed. The unity of formal logic and of rational dialectics is methodological basis of the analysis. It is shown that critical analysis of the concept of mathematical quantity - central concept of mathematics - leads to the following conclusion: (1) The concept of ``mathematical quantity'' is the result of the following mental operations: (a) abstraction of the ``quantitative determinacy of physical quantity'' from the ``physical quantity'' at that the ``quantitative determinacy of physical quantity'' is an independent object of thought; (b) abstraction of the ``amount (i.e., abstract number)'' from the ``quantitative determinacy of physical quantity'' at that the ``amount (i.e., abstract number)'' is an independent object of thought. In this case, unnamed, abstract numbers are the only sign of the ``mathematical quantity''. This sign is not an essential sign of the material objects. (2) The concept of mathematical quantity is meaningless, erroneous, and inadmissible concept in science because it represents the following formal-logical and dialectical-materialistic error: negation of the existence of the essential sign of the concept (i.e., negation of the existence of the essence of the concept) and negation of the existence of measure of material object.

Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential

PubMed Central

Zhou, Yu-Ping; Jiang, Jin-Wu

2017-01-01

While most existing theoretical studies on the borophene are based on first-principles calculations, the present work presents molecular dynamics simulations for the lattice dynamical and mechanical properties in borophene. The obtained mechanical quantities are in good agreement with previous first-principles calculations. The key ingredients for these molecular dynamics simulations are the two efficient empirical potentials developed in the present work for the interaction of borophene with low-energy triangular structure. The first one is the valence force field model, which is developed with the assistance of the phonon dispersion of borophene. The valence force field model is a linear potential, so it is rather efficient for the calculation of linear quantities in borophene. The second one is the Stillinger-Weber potential, whose parameters are derived based on the valence force field model. The Stillinger-Weber potential is applicable in molecular dynamics simulations of nonlinear physical or mechanical quantities in borophene. PMID:28349983

A study on the development of automatic economic profit and loss calculation system for maritime boundary delimitation

NASA Astrophysics Data System (ADS)

Kwak, G.; Kim, K.; Park, Y.

2014-02-01

As the maritime boundary delimitation is important for the purpose of securing marine resources, in addition to the aspect of maritime security, interest in maritime boundary delimitation to help national benefits are increasing over the world. In Korea, the importance of maritime boundary delimitation with the neighbouring countries is also increasing in practice. The quantity of obtainable marine resources depending on maritime boundary acts as an important factor for maritime boundary delimitation. Accordingly, a study is required to calculate quantity of our obtainable marine resources depending on maritime boundary delimitation. This study intends to calculate obtainable marine resources depending on various maritime boundary scenarios insisted by several countries. It mainly aims at developing a GIS-based automation system to be utilized for decision making of the maritime boundary delimitation. For this target, it has designed a module using spatial analysis technique to automatically calculate profit and loss waters area of each country upon maritime boundary and another module to estimate economic profits and losses obtained by each country using the calculated waters area and pricing information of the marine resources. By linking both the designed modules, it has implemented an automatic economic profit and loss calculation system for the GIS-based maritime boundary delimitation. The system developed from this study automatically calculate quantity of the obtainable marine resources of a country for the maritime boundary to be added and created in the future. Thus, it is expected to support decision making for the maritime boundary negotiators.

10 CFR 70.20b - General license for carriers of transient shipments of formula quantities of strategic special...

Code of Federal Regulations, 2010 CFR

2010-01-01

... significance, special nuclear material of low strategic significance, and irradiated reactor fuel. 70.20b..., special nuclear material of low strategic significance, and irradiated reactor fuel. (a) A general license... requirements of § 73.67 of this chapter. (3) Irradiated reactor fuel of the type and quantity subject to the...

10 CFR 70.20b - General license for carriers of transient shipments of formula quantities of strategic special...

Code of Federal Regulations, 2011 CFR

2011-01-01

... significance, special nuclear material of low strategic significance, and irradiated reactor fuel. 70.20b..., special nuclear material of low strategic significance, and irradiated reactor fuel. (a) A general license... requirements of § 73.67 of this chapter. (3) Irradiated reactor fuel of the type and quantity subject to the...

Electrochemical slurry compositions and methods for preparing the same

DOEpatents

Doherty, Tristan; Limthongkul, Pimpa; Butros, Asli; Duduta, Mihai; Cross, III, James C.

2016-11-01

Embodiments described herein generally relate to semi-solid suspensions, and more particularly to systems and methods for preparing semi-solid suspensions for use as electrodes in electrochemical devices such as, for example batteries. In some embodiments, a method for preparing a semi-solid electrode includes combining a quantity of an active material with a quantity of an electrolyte to form an intermediate material. The intermediate material is then combined with a conductive additive to form an electrode material. The electrode material is mixed to form a suspension having a mixing index of at least about 0.80 and is then formed into a semi-solid electrode.

Conceptual design of tetraazaporphyrin- and subtetraazaporphyrin-based functional nanocarbon materials: electronic structures, topologies, optical properties, and methane storage capacities.

PubMed

Belosludov, Rodion V; Rhoda, Hannah M; Zhdanov, Ravil K; Belosludov, Vladimir R; Kawazoe, Yoshiyuki; Nemykin, Victor N

2016-05-11

A large variety of conceptual three- and fourfold tetraazaporphyrin- and subtetraazaporphyrin-based functional 3D nanocage and nanobarrel structures have been proposed on the basis of in silico design. The designed structures differ in their sizes, topology, porosity, and conjugation properties. The stability of nanocages of Oh symmetry and nanobarrels of D4h symmetry was revealed on the basis of DFT and MD calculations, whereas their optical properties were assessed using a TDDFT approach and a long-range corrected LC-wPBE exchange-correlation functional. It was shown that the electronic structures and vertical excitation energies of the functional nanocage and nanobarrel structures could be easily tuned via their size, topology, and the presence of bridging sp(3) carbon atoms. TDDFT calculations suggest significantly lower excitation energies in fully conjugated nanocages and nanobarrels compared with systems with bridging sp(3) carbon fragments. Based on DFT and TDDFT calculations, the optical properties of the new materials can rival those of known quantum dots and are superior to those of monomeric phthalocyanines and their analogues. The methane gas adsorption properties of the new nanostructures and nanotubes generated by conversion from nanobarrels were studied using an MD simulation approach. The ability to store large quantities of methane (106-216 cm(3) (STP) cm(-3)) was observed in all cases with several compounds being close to or exceeding the DOE target of 180 cm(3) (STP) cm(-3) for material-based methane storage at a pressure of 3.5 MPa and room temperature.

Elastic constants of stressed and unstressed materials in the phase-field crystal model

NASA Astrophysics Data System (ADS)

Wang, Zi-Le; Huang, Zhi-Feng; Liu, Zhirong

2018-04-01

A general procedure is developed to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase-field crystal (PFC) models. It is found that for a complete description of system response to elastic deformation, the variations of all the quantities of lattice wave vectors, their density amplitudes (including the corresponding anisotropic variation and degeneracy breaking), the average atomic density, and system volume should be incorporated. The quantitative and qualitative results of elastic constant calculations highly depend on the physical interpretation of the density field used in the model, and also importantly, on the intrinsic pressure that usually pre-exists in the model system. A formulation based on thermodynamics is constructed to account for the effects caused by constant pre-existing stress during the homogeneous elastic deformation, through the introducing of a generalized Gibbs free energy and an effective finite strain tensor used for determining the elastic constants. The elastic properties of both solid and liquid states can be well produced by this unified approach, as demonstrated by an analysis for the liquid state and numerical evaluations for the bcc solid phase. The numerical calculations of bcc elastic constants and Poisson's ratio through this method generate results that are consistent with experimental conditions, and better match the data of bcc Fe given by molecular dynamics simulations as compared to previous work. The general theory developed here is applicable to the study of different types of stressed or unstressed material systems under elastic deformation.

MCNP simulation to optimise in-pile and shielding parts of the Portuguese SANS instrument.

PubMed

Gonçalves, I F; Salgado, J; Falcão, A; Margaça, F M A; Carvalho, F G

2005-01-01

A Small Angle Neutron Scattering instrument is being installed at one end of the tangential beam tube of the Portuguese Research Reactor. The instrument is fed using a neutron scatterer positioned in the middle of the beam tube. The scatterer consists of circulating H2O contained in a hollow disc of Al. The in-pile shielding components and the shielding installed around the neutron selector have been the object of an MCNP simulation study. The quantities calculated were the neutron and gamma-ray fluxes in different positions, the energy deposited in the material by the neutron and gamma-ray fields, the material activation resulting from the neutron field and radiation doses at the exit wall of the shutter and around the shielding. The MCNP results are presented and compared with results of an analytical approach and with experimental data collected after installation.

Oxidation/volatilization rates in air for candidate fusion reactor blanket materials, PCA and HT-9

NASA Astrophysics Data System (ADS)

Piet, S. J.; Kraus, H. G.; Neilson, R. M.; Jones, J. L.

1986-11-01

Large uncertainties exist in the quantity of neutron-induced activation products that can be mobilized in potential fusion accidents. The accidental combination of high temperatures and oxidizing conditions might lead to mobilization of a significant amount of activation products from structural materials. Here, the volatilization of constituents of PCA and HT-9 resulting form oxidation in air was investigated. Tests were conducted in flowing air at temperatures from 600 to 1300°C for 1, 5, or 20 h. Elemental volatility was calculated in terms of the weight fraction of the element volatilized from the initial alloy. Molybdenum and manganese were the radiologically significant primary constituents most volatilized, suggesting that molybdenum and manganese should be minimized in fusion steel compositions. Higher chromium content appears beneficial in reducing hazards from mobile activation products. Scanning electron microscopy and energy dispersive spectroscopy were used to study the oxide layer on samples.

High pressure in solid state chemistry: Combined experimental and modeling approaches for assessing and predicting properties

NASA Astrophysics Data System (ADS)

Etourneau, Jean; Matar, Samir F.

2018-06-01

The thermodynamic pressure parameter has been thoroughly used with mastership by Gérard Demazeau throughout his rich career in solid state chemistry and materials sciences and more recently in biosciences. After a review of such works, focus is made in this topical article on his contribution together with his team in the field of hard materials based on light elements B, C, N with a proposition of a new ultra-hard carbon nitride C2N on one hand and on the structural transformations under high pressures of perovskite into postperovskite with a change of dimensionality from 3D to 2D and related oxides, regarding the arrangement of octahedra, on the other hand. Investigation and concepts first arising from experimental observables are shown to be aided and accelerated via first principles calculations of energy and energy-related quantities.

Solution of D dimensional Dirac equation for hyperbolic tangent potential using NU method and its application in material properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suparmi, A., E-mail: soeparmi@staff.uns.ac.id; Cari, C., E-mail: cari@staff.uns.ac.id; Pratiwi, B. N., E-mail: namakubetanurpratiwi@gmail.com

2016-02-08

The analytical solution of D-dimensional Dirac equation for hyperbolic tangent potential is investigated using Nikiforov-Uvarov method. In the case of spin symmetry the D dimensional Dirac equation reduces to the D dimensional Schrodinger equation. The D dimensional relativistic energy spectra are obtained from D dimensional relativistic energy eigen value equation by using Mat Lab software. The corresponding D dimensional radial wave functions are formulated in the form of generalized Jacobi polynomials. The thermodynamically properties of materials are generated from the non-relativistic energy eigen-values in the classical limit. In the non-relativistic limit, the relativistic energy equation reduces to the non-relativistic energy.more » The thermal quantities of the system, partition function and specific heat, are expressed in terms of error function and imaginary error function which are numerically calculated using Mat Lab software.« less

Disasters and Impact of Sleep Quality and Quantity on National Guard Medical Personnel

DTIC Science & Technology

2018-04-30

Impact of Sleep Quality & Quantity on National Guard Medical Personnel Sb. GRANT NUMBER Sc. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Sd. PROJECT NUMBER...Std. 239.18 Adobe Professional 7 .0 Approved for Public Release ~••Unlmlted Disasters & Impact of Sleep Quality & Quantity on National Guard...College of Nursing 4/11/2018 6 Methods • Measures • Critical skills questions • Medication calculations +Licensed • Basic Life Support (BLS

Exploring Flavor Physics with Lattice QCD

NASA Astrophysics Data System (ADS)

Du, Daping; Fermilab/MILC Collaborations Collaboration

2016-03-01

The Standard Model has been a very good description of the subatomic particle physics. In the search for physics beyond the Standard Model in the context of flavor physics, it is important to sharpen our probes using some gold-plated processes (such as B rare decays), which requires the knowledge of the input parameters, such as the Cabibbo-Kobayashi-Maskawa (CKM) matrix elements and other nonperturbative quantities, with sufficient precision. Lattice QCD is so far the only first-principle method which could compute these quantities with competitive and systematically improvable precision using the state of the art simulation techniques. I will discuss the recent progress of lattice QCD calculations on some of these nonpurturbative quantities and their applications in flavor physics. I will also discuss the implications and future perspectives of these calculations in flavor physics.

Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals

NASA Astrophysics Data System (ADS)

Lesiuk, Michał; Moszynski, Robert

2014-12-01

In this paper we consider the calculation of two-center exchange integrals over Slater-type orbitals (STOs). We apply the Neumann expansion of the Coulomb interaction potential and consider calculation of all basic quantities which appear in the resulting expression. Analytical closed-form equations for all auxiliary quantities have already been known but they suffer from large digital erosion when some of the parameters are large or small. We derive two differential equations which are obeyed by the most difficult basic integrals. Taking them as a starting point, useful series expansions for small parameter values or asymptotic expansions for large parameter values are systematically derived. The resulting expansions replace the corresponding analytical expressions when the latter introduce significant cancellations. Additionally, we reconsider numerical integration of some necessary quantities and present a new way to calculate the integrand with a controlled precision. All proposed methods are combined to lead to a general, stable algorithm. We perform extensive numerical tests of the introduced expressions to verify their validity and usefulness. Advances reported here provide methodology to compute two-electron exchange integrals over STOs for a broad range of the nonlinear parameters and large angular momenta.

MODTRAN3: Suitability as a flux-divergence code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, G.P.; Chetwynd, J.H.; Wang, J.

1995-04-01

The Moderate Resolution Atmospheric Radiance and Transmittance Model (MODTRAN3) is the developmental version of MODTRAN and MODTRAN2. The Geophysics Directorate, Phillips Laboratory, released a beta version of this model in October 1994. It encompasses all the capabilities of LOWTRAN7, the historic 20 cm{sup -1} resolution (full width at half maximum, FWHM) radiance code, but incorporates a much more sensitive molecular band model with 2 cm{sup -1} resolution. The band model is based directly upon the HITRAN spectral parameters, including both temperature and pressure (line shape) dependencies. Validation against full Voigt line-by-line calculations (e.g., FASCODE) has shown excellent agreement. In addition,more » simple timing runs demonstrate potential improvement of more than a factor of 100 for a typical 500 cm{sup -1} spectral interval and comparable vertical layering. Not only is MODTRAN an excellent band model for {open_quotes}full path{close_quotes} calculations (that is, radiance and/or transmittance from point A to point B), but it replicates layer-specific quantities to a very high degree of accuracy. Such layer quantities, derived from ratios and differences of longer path MODTRAN calculations from point A to adjacent layer boundaries, can be used to provide inversion algorithm weighting functions or similarly formulated quantities. One of the most exciting new applications is the rapid calculation of reliable IR cooling rates, including species, altitude, and spectral distinctions, as well as the standard spectrally integrated quantities. Comparisons with prior line-by-line cooling rate calculations are excellent, and the techniques can be extended to incorporate global climatologies of both standard and trace atmospheric species.« less

Statistical and sampling issues when using multiple particle tracking

NASA Astrophysics Data System (ADS)

Savin, Thierry; Doyle, Patrick S.

2007-08-01

Video microscopy can be used to simultaneously track several microparticles embedded in a complex material. The trajectories are used to extract a sample of displacements at random locations in the material. From this sample, averaged quantities characterizing the dynamics of the probes are calculated to evaluate structural and/or mechanical properties of the assessed material. However, the sampling of measured displacements in heterogeneous systems is singular because the volume of observation with video microscopy is finite. By carefully characterizing the sampling design in the experimental output of the multiple particle tracking technique, we derive estimators for the mean and variance of the probes’ dynamics that are independent of the peculiar statistical characteristics. We expose stringent tests of these estimators using simulated and experimental complex systems with a known heterogeneous structure. Up to a certain fundamental limitation, which we characterize through a material degree of sampling by the embedded probe tracking, these estimators can be applied to quantify the heterogeneity of a material, providing an original and intelligible kind of information on complex fluid properties. More generally, we show that the precise assessment of the statistics in the multiple particle tracking output sample of observations is essential in order to provide accurate unbiased measurements.

Generalization of the Mulliken-Hush treatment for the calculation of electron transfer matrix elements

NASA Astrophysics Data System (ADS)

Cave, Robert J.; Newton, Marshall D.

1996-01-01

A new method for the calculation of the electronic coupling matrix element for electron transfer processes is introduced and results for several systems are presented. The method can be applied to ground and excited state systems and can be used in cases where several states interact strongly. Within the set of states chosen it is a non-perturbative treatment, and can be implemented using quantities obtained solely in terms of the adiabatic states. Several applications based on quantum chemical calculations are briefly presented. Finally, since quantities for adiabatic states are the only input to the method, it can also be used with purely experimental data to estimate electron transfer matrix elements.

40 CFR 98.463 - Calculating GHG emissions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Industrial Waste Landfills § 98.463 Calculating GHG emissions. (a) For each industrial waste landfill subject to the reporting requirements of this subpart... which emissions are calculated. Wx = Quantity of waste disposed in the industrial waste landfill in year...

Establishing the traceability of a uranyl nitrate solution to a standard reference material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jackson, C.H.; Clark, J.P.

1978-01-01

A uranyl nitrate solution for use as a Working Calibration and Test Material (WCTM) was characterized, using a statistically designed procedure to document traceability to National Bureau of Standards Reference Material (SPM-960). A Reference Calibration and Test Material (PCTM) was prepared from SRM-960 uranium metal to approximate the acid and uranium concentration of the WCTM. This solution was used in the characterization procedure. Details of preparing, handling, and packaging these solutions are covered. Two outside laboratories, each having measurement expertise using a different analytical method, were selected to measure both solutions according to the procedure for characterizing the WCTM. Twomore » different methods were also used for the in-house characterization work. All analytical results were tested for statistical agreement before the WCTM concentration and limit of error values were calculated. A concentration value was determined with a relative limit of error (RLE) of approximately 0.03% which was better than the target RLE of 0.08%. The use of this working material eliminates the expense of using SRMs to fulfill traceability requirements for uranium measurements on this type material. Several years' supply of uranyl nitrate solution with NBS traceability was produced. The cost of this material was less than 10% of an equal quantity of SRM-960 uranium metal.« less

Utilization of MAX and FAX human phantoms for space radiation exposure calculations using HZETRN

NASA Astrophysics Data System (ADS)

Qualls, Garry; Slaba, Tony; Clowdsley, Martha; Blattnig, Steve; Walker, Steven; Simonsen, Lisa

To estimate astronaut health risk due to space radiation, one must have the ability to calculate, for known radiation environments external to the body, particle spectra, LET spectra, dose, dose equivalent, or gray equivalent that are averaged over specific organs or tissue types. This may be accomplished using radiation transport software and computational human body tissue models. Historically, NASA scientists have used the HZETRN software to calculate radiation transport through both vehicle shielding materials and body tissue. The Computerized Anatomical Man (CAM) and the Computerized Anatomical Female (CAF) body models, combined with the CAMERA software, have been used for body tissue self-shielding calculations. The CAM and CAF, which were developed in 1973 and 1992, respectively, model the 50th percentile U.S. Air Force male and female and are constructed using individual quadric surfaces that combine to form thousands of solid regions that represent specific tissues and structures within the body. In order to transport an external radiation environment to a point within one of the body models using HZETRN, a directional distribution of the tissues surrounding that point is needed. The CAMERA software is used to "ray trace" the CAM and CAF models, providing the thickness of each tissue type traversed along each of a large number of rays originating at a dose point. More recently, R. Kramer of the Departmento de Energia Nuclear, Universidade Federal de Pernambuco in Brazil and his co-workers developed the Male Adult voXel (MAX) model and the Female Adult voXel (FAX). These voxel-based body models were developed using segmented Computed Tomography (CT) scans of adult cadavers, and the quantities and distributions of various body tissues have been adjusted to match those specified in the International Commission on Radiological Protection (ICRP) reference adult male and female. A new set of tools has been developed to facilitate space radiation exposure calculation using HZETRN and the MAX and FAX models. A new ray tracer was developed for these body models, as was a methodology for evaluating organ-averaged quantities. Both tools are described in this paper and utilized in sample calculations.

Significant Figures in Measurements with Uncertainty: A Working Criterion

ERIC Educational Resources Information Center

Vilchis, Abraham

2017-01-01

Generally speaking, students have difficulty reporting out measurements and estimates of quantities used in the laboratory, and with handling the significant figures associated with them. When required to make calculation involving quantities with different numbers of significant figures, they have difficulty in assigning the corresponding digits…

Rotating black holes in the teleparallel equivalent of general relativity

NASA Astrophysics Data System (ADS)

Nashed, Gamal G. L.

2016-05-01

We derive set of solutions with flat transverse sections in the framework of a teleparallel equivalent of general relativity which describes rotating black holes. The singularities supported from the invariants of torsion and curvature are explained. We investigate that there appear more singularities in the torsion scalars than in the curvature ones. The conserved quantities are discussed using Einstein-Cartan geometry. The physics of the constants of integration is explained through the calculations of conserved quantities. These calculations show that there is a unique solution that may describe true physical black hole.

Ab initio modeling of complex amorphous transition-metal-based ceramics.

PubMed

Houska, J; Kos, S

2011-01-19

Binary and ternary amorphous transition metal (TM) nitrides and oxides are of great interest because of their suitability for diverse applications ranging from high-temperature machining to the production of optical filters or electrochromic devices. However, understanding of bonding in, and electronic structure of, these materials represents a challenge mainly due to the d electrons in their valence band. In the present work, we report ab initio calculations of the structure and electronic structure of ZrSiN materials. We focus on the methodology needed for the interpretation and automatic analysis of the bonding structure, on the effect of the length of the calculation on the convergence of individual quantities of interest and on the electronic structure of materials. We show that the traditional form of the Wannier function center-based algorithm fails due to the presence of d electrons in the valence band. We propose a modified algorithm, which allows one to analyze bonding structure in TM-based systems. We observe an appearance of valence p states of TM atoms in the electronic spectra of such systems (not only ZrSiN but also NbO(x) and WAuO), and examine the importance of the p states for the character of the bonding as well as for facilitating the bonding analysis. The results show both the physical phenomena and the computational methodology valid for a wide range of TM-based ceramics.

PQcalc, an Online Calculator for Science Learners

ERIC Educational Resources Information Center

Theis, Karsten

2015-01-01

PQcalc is an online calculator designed to support students in college-level science classes. Unlike a pocket calculator, PQcalc allows students to set up problems within the calculator just as one would on paper. This includes using proper units and naming quantities strategically in a way that helps finding the solution. Results of calculations…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isotalo, Aarno

A method referred to as tally nuclides is presented for accurately and efficiently calculating the time-step averages and integrals of any quantities that are weighted sums of atomic densities with constant weights during the step. The method allows all such quantities to be calculated simultaneously as a part of a single depletion solution with existing depletion algorithms. Some examples of the results that can be extracted include step-average atomic densities and macroscopic reaction rates, the total number of fissions during the step, and the amount of energy released during the step. Furthermore, the method should be applicable with several depletionmore » algorithms, and the integrals or averages should be calculated with an accuracy comparable to that reached by the selected algorithm for end-of-step atomic densities. The accuracy of the method is demonstrated in depletion calculations using the Chebyshev rational approximation method. Here, we demonstrate how the ability to calculate energy release in depletion calculations can be used to determine the accuracy of the normalization in a constant-power burnup calculation during the calculation without a need for a reference solution.« less

Noise in x-ray grating-based phase-contrast imaging.

PubMed

Weber, Thomas; Bartl, Peter; Bayer, Florian; Durst, Jürgen; Haas, Wilhelm; Michel, Thilo; Ritter, André; Anton, Gisela

2011-07-01

Grating-based x-ray phase-contrast imaging is a fast developing new modality not only for medical imaging, but as well for other fields such as material sciences. While these many possible applications arise, the knowledge of the noise behavior is essential. In this work, the authors used a least squares fitting algorithm to calculate the noise behavior of the three quantities absorption, differential phase, and dark-field image. Further, the calculated error formula of the differential phase image was verified by measurements. Therefore, a Talbot interferometer was setup, using a microfocus x-ray tube as source and a Timepix detector for photon counting. Additionally, simulations regarding this topic were performed. It turned out that the variance of the reconstructed phase is only dependent of the total number of photons used to generate the phase image and the visibility of the experimental setup. These results could be evaluated in measurements as well as in simulations. Furthermore, the correlation between absorption and dark-field image was calculated. These results provide the understanding of the noise characteristics of grating-based phase-contrast imaging and will help to improve image quality.

Chemical disorder as an engineering tool for spin polarization in Mn3Ga -based Heusler systems

NASA Astrophysics Data System (ADS)

Chadov, S.; D'Souza, S. W.; Wollmann, L.; Kiss, J.; Fecher, G. H.; Felser, C.

2015-03-01

Our study highlights spin-polarization mechanisms in metals by focusing on the mobilities of conducting electrons with different spins instead of their quantities. Here, we engineer electron mobility by applying chemical disorder induced by nonstoichiometric variations. As a practical example, we discuss the scheme that establishes such variations in tetragonal Mn3Ga Heusler material. We justify this approach using first-principles calculations of the spin-projected conductivity components based on the Kubo-Greenwood formalism. It follows that, in the majority of cases, even a small substitution of some other transition element instead of Mn may lead to a substantial increase in spin polarization along the tetragonal axis.

The Boeing plastic analysis capability for engines

NASA Technical Reports Server (NTRS)

Vos, R. G.

1976-01-01

The current BOPACE program is described as a nonlinear stress analysis program, which is based on a family of isoparametric finite elements. The theoretical, user, programmer, preprocessing aspects are discussed, and example problems are included. New features in the current program version include substructuring, an out-of-core Gauss wavefront equation solver, multipoint constraints, combined material and geometric nonlinearities, automatic calculation of inertia effects, provision for distributed as well as concentrated mechanical loads, follower forces, singular crack-tip elements, the SAIL automatic generation capability, and expanded user control over input quantity definition, output selection, and program execution. BOPACE is written in FORTRAN 4 and is currently available for both the IBM 360/370 and the UNIVAC 1108 machines.

Husimi-cactus approximation study on the diluted spin ice

NASA Astrophysics Data System (ADS)

Otsuka, Hiromi; Okabe, Yutaka; Nefedev, Konstantin

2018-04-01

We investigate dilution effects on the classical spin-ice materials such as Ho2Ti2O7 and Dy2Ti2O7 . In particular, we derive a formula of the thermodynamic quantities as functions of the temperature and a nonmagnetic ion concentration based on a Husimi-cactus approximation. We find that the formula predicts a dilution-induced crossover from the cooperative to the conventional paramagnets in a ground state, and that it also reproduces the "generalized Pauling's entropy" given by Ke et al. To verify the formula from a numerical viewpoint, we compare these results with Monte Carlo simulation calculation data, and then find good agreement for all parameter values.

Light Curve Simulation Using Spacecraft CAD Models and Empirical Material Spectral BRDFS

NASA Astrophysics Data System (ADS)

Willison, A.; Bedard, D.

This paper presents a Matlab-based light curve simulation software package that uses computer-aided design (CAD) models of spacecraft and the spectral bidirectional reflectance distribution function (sBRDF) of their homogenous surface materials. It represents the overall optical reflectance of objects as a sBRDF, a spectrometric quantity, obtainable during an optical ground truth experiment. The broadband bidirectional reflectance distribution function (BRDF), the basis of a broadband light curve, is produced by integrating the sBRDF over the optical wavelength range. Colour-filtered BRDFs, the basis of colour-filtered light curves, are produced by first multiplying the sBRDF by colour filters, and integrating the products. The software package's validity is established through comparison of simulated reflectance spectra and broadband light curves with those measured of the CanX-1 Engineering Model (EM) nanosatellite, collected during an optical ground truth experiment. It is currently being extended to simulate light curves of spacecraft in Earth orbit, using spacecraft Two-Line-Element (TLE) sets, yaw/pitch/roll angles, and observer coordinates. Measured light curves of the NEOSSat spacecraft will be used to validate simulated quantities. The sBRDF was chosen to represent material reflectance as it is spectrometric and a function of illumination and observation geometry. Homogeneous material sBRDFs were obtained using a goniospectrometer for a range of illumination and observation geometries, collected in a controlled environment. The materials analyzed include aluminum alloy, two types of triple-junction photovoltaic (TJPV) cell, white paint, and multi-layer insulation (MLI). Interpolation and extrapolation methods were used to determine the sBRDF for all possible illumination and observation geometries not measured in the laboratory, resulting in empirical look-up tables. These look-up tables are referenced when calculating the overall sBRDF of objects, where the contribution of each facet is proportionally integrated.

MODTRAN2: Evolution and applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, G.P.; Chetwynd, J.H.; Kneizys, F.X.

1994-12-31

MODTRAN2 is the most recent version of the Moderate Resolution Atmospheric Radiance and Transmittance Model. It encompasses all the capabilities of LOWTRAN 7, the historic 20 cm{sup {minus}1} resolution (full width at half maximum, FWHM) radiance code, but incorporates a much more sensitive molecular band model with 2 cm{sup {minus}1} resolution. The band model is based directly upon the HITRAN spectral parameters, including both temperature and pressure (line shape) dependencies. Because the band model parameters and their applications to transmittance calculations have been independently developed using equivalent width binning procedures, validation against full Voigt line-by-line calculations is important. Extensive spectralmore » comparisons have shown excellent agreement. In addition, simple timing runs of MODTRAN vs. FASCOD3P show an improvement of more than a factor of 100 for a typical 500 cm{sup {minus}1} spectral interval and comparable vertical layering. It has been previously established that not only is MODTRAN an excellent band model for full path calculations, but it replicates layer-specific quantities to a very high degree of accuracy. Such layer quantities, derived from ratios and differences of longer path MODTRAN calculations from point A to adjacent layer boundaries, can be used to provide inversion algorithm weighting functions or similarly formulated quantities. One of the most exciting new applications is the rapid calculation of reliable IR cooling rates, including species, altitude, and spectral distinctions, as well as the standard integrated quantities. Comparisons with prior line-by-line cooling rate calculations are excellent, and the techniques can be extended to incorporate global climatologies. Enhancements expected to appear in MODTRAN3 relate directly to climate change studies. The addition of ultraviolet SO{sub 2} and NO{sub 2} in the UV, along with upgraded ozone Chappuis bands in the visible will also be part of MODTRAN3.« less

Use of raw materials in the United States from 1900 through 2014

USGS Publications Warehouse

Matos, Grecia R.

2017-08-22

The economic growth of an industrialized nation such as the United States requires raw materials for construction (buildings, bridges, highways, and so forth), defense, and processing and manufacture of goods and services. Since the beginning of the 20th century, the types and quantities of raw materials used have increased and changed significantly. This fact sheet quantifies the amounts of raw materials (other than food and fuel) that have been used in the U.S. economy annually for a period of 115 years, from 1900 through 2014. It provides a broad overview of the quantity (weight) of nonfood and nonfuel materials used in the economy and illustrates the use and significance of raw nonfuel minerals in particular as building blocks of society.These data have been compiled to help the public and policymakers understand the changing annual flow of raw materials put into use in the United States. Such information can be helpful in assessing the potential effects of materials use on the environment, assessing materials’ intensity of use, and examining the role that these materials play in the economy. The data presented indicate the substitution and shift in materials usage from renewable to nonrenewable materials during the 20th century. The disaggregated quantities by commodity (not shown in this fact sheet) may be tested against supply adequacy and end of life issues.

Methodology to Estimate the Quantity, Composition, and ...

EPA Pesticide Factsheets

This report, Methodology to Estimate the Quantity, Composition and Management of Construction and Demolition Debris in the US, was developed to expand access to data on CDD in the US and to support research on CDD and sustainable materials management. Since past US EPA CDD estimates have been limited to building-related CDD, a goal in the development of this methodology was to use data originating from CDD facilities and contractors to better capture the current picture of total CDD management, including materials from roads, bridges and infrastructure. This report, Methodology to Estimate the Quantity, Composition and Management of Construction and Demolition Debris in the US, was developed to expand access to data on CDD in the US and to support research on CDD and sustainable materials management. Since past US EPA CDD estimates have been limited to building-related CDD, a goal in the development of this methodology was to use data originating from CDD facilities and contractors to better capture the current picture of total CDD management, including materials from roads, bridges and infrastructure.

Calculation of Radiation Protection Quantities and Analysis of Astronaut Orientation Dependence

NASA Technical Reports Server (NTRS)

Clowdsley, Martha S.; Nealy, John E.; Atwell, William; Anderson, Brooke M.; Luetke, Nathan J.; Wilson, John W.

2006-01-01

Health risk to astronauts due to exposure to ionizing radiation is a primary concern for exploration missions and may become the limiting factor for long duration missions. Methodologies for evaluating this risk in terms of radiation protection quantities such as dose, dose equivalent, gray equivalent, and effective dose are described. Environment models (galactic cosmic ray and solar particle event), vehicle/habitat geometry models, human geometry models, and transport codes are discussed and sample calculations for possible lunar and Mars missions are used as demonstrations. The dependence of astronaut health risk, in terms of dosimetric quantities, on astronaut orientation within a habitat is also examined. Previous work using a space station type module exposed to a proton spectrum modeling the October 1989 solar particle event showed that reorienting the astronaut within the module could change the calculated dose equivalent by a factor of two or more. Here the dose equivalent to various body tissues and the whole body effective dose due to both galactic cosmic rays and a solar particle event are calculated for a male astronaut in two different orientations, vertical and horizontal, in a representative lunar habitat. These calculations also show that the dose equivalent at some body locations resulting from a solar particle event can vary by a factor of two or more, but that the dose equivalent due to galactic cosmic rays has a much smaller (<15%) dependence on astronaut orientation.

A Universal 3D Voxel Descriptor for Solid-State Material Informatics with Deep Convolutional Neural Networks.

PubMed

Kajita, Seiji; Ohba, Nobuko; Jinnouchi, Ryosuke; Asahi, Ryoji

2017-12-05

Material informatics (MI) is a promising approach to liberate us from the time-consuming Edisonian (trial and error) process for material discoveries, driven by machine-learning algorithms. Several descriptors, which are encoded material features to feed computers, were proposed in the last few decades. Especially to solid systems, however, their insufficient representations of three dimensionality of field quantities such as electron distributions and local potentials have critically hindered broad and practical successes of the solid-state MI. We develop a simple, generic 3D voxel descriptor that compacts any field quantities, in such a suitable way to implement convolutional neural networks (CNNs). We examine the 3D voxel descriptor encoded from the electron distribution by a regression test with 680 oxides data. The present scheme outperforms other existing descriptors in the prediction of Hartree energies that are significantly relevant to the long-wavelength distribution of the valence electrons. The results indicate that this scheme can forecast any functionals of field quantities just by learning sufficient amount of data, if there is an explicit correlation between the target properties and field quantities. This 3D descriptor opens a way to import prominent CNNs-based algorithms of supervised, semi-supervised and reinforcement learnings into the solid-state MI.

Finite element based micro-mechanics modeling of textile composites

NASA Technical Reports Server (NTRS)

Glaessgen, E. H.; Griffin, O. H., Jr.

1995-01-01

Textile composites have the advantage over laminated composites of a significantly greater damage tolerance and resistance to delamination. Currently, a disadvantage of textile composites is the inability to examine the details of the internal response of these materials under load. Traditional approaches to the study fo textile based composite materials neglect many of the geometric details that affect the performance of the material. The present three dimensional analysis, based on the representative volume element (RVE) of a plain weave, allows prediction of the internal details of displacement, strain, stress, and failure quantities. Through this analysis, the effect of geometric and material parameters on the aforementioned quantities are studied.

Significant Figures in Measurements with Uncertainty: A Working Criterion

NASA Astrophysics Data System (ADS)

Vilchis, Abraham

2017-03-01

Generally speaking, students have difficulty reporting out measurements and estimates of quantities used in the laboratory, and with handling the significant figures associated with them. When required to make calculation involving quantities with different numbers of significant figures, they have difficulty in assigning the corresponding digits to the final result. When in addition, the quantities have uncertainty, the operations entailed pose an even greater challenge. The article advocates for some working rules for students (and teachers) in an effort to combat this problem.

Cost estimating Brayton and Stirling engines

NASA Technical Reports Server (NTRS)

Fortgang, H. R.

1980-01-01

Brayton and Stirling engines were analyzed for cost and selling price for production quantities ranging from 1000 to 400,000 units per year. Parts and components were subjected to indepth scrutiny to determine optimum manufacturing processes coupled with make or buy decisions on materials and small parts. Tooling and capital equipment costs were estimated for each detail and/or assembly. For low annual production volumes, the Brayton engine appears to have a lower cost and selling price than the Stirling Engine. As annual production quantities increase, the Stirling becomes a lower cost engine than the Brayton. Both engines could benefit cost wise if changes were made in materials, design and manufacturing process as annual production quantities increase.

Safety analysis report -- Packages LP-50 tritium package (Packaging of fissile and other radioactive materials)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gates, A.A.; McCarthy, P.G.; Edl, J.W.

1975-05-01

Elemental tritium is shipped at low pressure in a stainless steel container (LP-50) surrounded by an aluminum vessel and Celotex insulation at least 4 in. thick in a steel drum. Each package contains a large quantity (greater than a Type A quantity) of nonfissile material, as defined in AECM 0529. This report provides the details of the safety analysis performed for this type container.

Large-scale purification of 90Sr from nuclear waste materials for production of 90Y, a therapeutic medical radioisotope.

PubMed

Wester, Dennis W; Steele, Richard T; Rinehart, Donald E; DesChane, Jaquetta R; Carson, Katharine J; Rapko, Brian M; Tenforde, Thomas S

2003-07-01

A major limitation on the supply of the short-lived medical isotope 90Y (t1/2 = 64 h) is the available quantity of highly purified 90Sr generator material. A radiochemical production campaign was therefore undertaken to purify 1,500 Ci of 90Sr that had been isolated from fission waste materials. A series of alkaline precipitation steps removed all detectable traces of 137Cs, alpha emitters, and uranium and transuranic elements. Technical obstacles such as the buildup of gas pressure generated upon mixing large quantities of acid with solid 90Sr carbonate were overcome through safety features incorporated into the custom-built equipment used for 90Sr purification. Methods are described for analyzing the chemical and radiochemical purity of the final product and for accurately determining by gravimetry the quantities of 90Sr immobilized on stainless steel filters for future use.

Far-Field Accumulation of Fissile Material From Waste Packages Containing Plutonium Disposition Waste Form

DOE Office of Scientific and Technical Information (OSTI.GOV)

J.P. Nicot

The objective of this calculation is to estimate the quantity of fissile material that could accumulate in fractures in the rock beneath plutonium-ceramic (Pu-ceramic) and Mixed-Oxide (MOX) waste packages (WPs) as they degrade in the potential monitored geologic repository at Yucca Mountain. This calculation is to feed another calculation (Ref. 31) computing the probability of criticality in the systems described in Section 6 and then ultimately to a more general report on the impact of plutonium on the performance of the proposed repository (Ref. 32), both developed concurrently to this work. This calculation is done in accordance with the developmentmore » plan TDP-DDC-MD-000001 (Ref. 9), item 5. The original document described in item 5 has been split into two documents: this calculation and Ref. 4. The scope of the calculation is limited to only very low flow rates because they lead to the most conservative cases for Pu accumulation and more generally are consistent with the way the effluent from the WP (called source term in this calculation) was calculated (Ref. 4). Ref. 4 (''In-Drift Accumulation of Fissile Material from WPs Containing Plutonium Disposition Waste Forms'') details the evolution through time (breach time is initial time) of the chemical composition of the solution inside the WP as degradation of the fuel and other materials proceed. It is the chemical solution used as a source term in this calculation. Ref. 4 takes that same source term and reacts it with the invert; this calculation reacts it with the rock. In addition to reactions with the rock minerals (that release Si and Ca), the basic mechanisms for actinide precipitation are dilution and mixing with resident water as explained in Section 2.1.4. No other potential mechanism such as flow through a reducing zone is investigated in this calculation. No attempt was made to use the effluent water from the bottom of the invert instead of using directly the effluent water from the WP. This calculation supports disposal criticality analysis and has been prepared in accordance with AP-3.12Q, Calculations (Ref. 49). This calculation uses results from Ref. 4 on actinide accumulation in the invert and more generally does reference heavily the cited calculation. In addition to the information provided in this calculation, the reader is referred to the cited calculation for a more thorough treatment of items applying to both the invert and fracture system such as the choice of the thermodynamic database, the composition of J-13 well water, tuff composition, dissolution rate laws, Pu(OH){sub 4} solubility and also for details on the source term composition. The flow conditions (seepage rate, water velocity in fractures) in the drift and the fracture system beneath initially referred to the TSPA-VA because this work was prepared before the release of the work feeding the TSPA-SR. Some new information feeding the TSPA-SR has since been included. Similarly, the soon-to-be-qualified thermodynamic database data0.ymp has not been released yet.« less

Mutual Information Rate and Bounds for It

PubMed Central

Baptista, Murilo S.; Rubinger, Rero M.; Viana, Emilson R.; Sartorelli, José C.; Parlitz, Ulrich; Grebogi, Celso

2012-01-01

The amount of information exchanged per unit of time between two nodes in a dynamical network or between two data sets is a powerful concept for analysing complex systems. This quantity, known as the mutual information rate (MIR), is calculated from the mutual information, which is rigorously defined only for random systems. Moreover, the definition of mutual information is based on probabilities of significant events. This work offers a simple alternative way to calculate the MIR in dynamical (deterministic) networks or between two time series (not fully deterministic), and to calculate its upper and lower bounds without having to calculate probabilities, but rather in terms of well known and well defined quantities in dynamical systems. As possible applications of our bounds, we study the relationship between synchronisation and the exchange of information in a system of two coupled maps and in experimental networks of coupled oscillators. PMID:23112809

Determination of a Two-Phase Structure of Nanocrystals: GaN and SiC

NASA Technical Reports Server (NTRS)

Palosz, W.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Lojkowski, W.; Bismayer, U.; Neuefeind, J.; Weber, H.-P.; Janik, J. F.;

48 CFR 252.208-7000 - Intent to furnish precious metals as Government-furnished material.

Code of Federal Regulations, 2010 CFR

2010-10-01

...-furnished silver is mandatory when the quantity required is one hundred troy ounces or more. The precious... quantity in whole troy ounces of precious metals required in the performance of this contract (including...

Experimental Techniques for Thermodynamic Measurements of Ceramics

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Putnam, Robert L.; Navrotsky, Alexandra

1999-01-01

Experimental techniques for thermodynamic measurements on ceramic materials are reviewed. For total molar quantities, calorimetry is used. Total enthalpies are determined with combustion calorimetry or solution calorimetry. Heat capacities and entropies are determined with drop calorimetry, differential thermal methods, and adiabatic calorimetry . Three major techniques for determining partial molar quantities are discussed. These are gas equilibration techniques, Knudsen cell methods, and electrochemical techniques. Throughout this report, issues unique to ceramics are emphasized. Ceramic materials encompass a wide range of stabilities and this must be considered. In general data at high temperatures is required and the need for inert container materials presents a particular challenge.

Costing the OMNIUM-G system 7500

NASA Technical Reports Server (NTRS)

Fortgang, H. R.

1980-01-01

A complete OMNIUM-G System 7500 was cost analyzed for annual production quantities ranging from 25 to 10,000 units per year. Parts and components were subjected to in-depth scrutiny to determine optimum manufacturing processes, coupled with make or buy decisions on materials and small parts. When production quantities increase both labor and material costs reduce substantially. A redesign of the system that was analyzed could result in lower costs when annual production runs approach 100,000 units/year. Material and labor costs for producing 25, 100, 25,000 and 100,00 units are given for 17 subassembly units.

Spherically symmetric charged black holes in f(R) gravitational theories

NASA Astrophysics Data System (ADS)

Nashed, G. G. L.

2018-01-01

In this study, we have derived electric and magnetic spherically symmetric black holes for the class f(R)=R+ζ R2 without assuming any restrictions on the Ricci scalar. These black holes asymptotically behave as the de Sitter spacetime under certain constrains. We have shown that the magnetic charge contributes in the metric spacetime similarly to the electric charge. The most interesting feature of some of these black holes is the fact that the Cauchy horizon is not identical to the event horizon. We have calculated the invariants of Ricci and Kretschmann scalars to investigate the nature of singularities of such black holes. Also, we have calculated the conserved quantities to match the constants of integration with the physical quantities. Finally, the thermodynamical quantities, like Hawking temperature, entropy, etc., have been evaluated and the validity of the first law of thermodynamics has been verified.

A new heat transfer analysis in machining based on two steps of 3D finite element modelling and experimental validation

NASA Astrophysics Data System (ADS)

Haddag, B.; Kagnaya, T.; Nouari, M.; Cutard, T.

2013-01-01

Modelling machining operations allows estimating cutting parameters which are difficult to obtain experimentally and in particular, include quantities characterizing the tool-workpiece interface. Temperature is one of these quantities which has an impact on the tool wear, thus its estimation is important. This study deals with a new modelling strategy, based on two steps of calculation, for analysis of the heat transfer into the cutting tool. Unlike the classical methods, considering only the cutting tool with application of an approximate heat flux at the cutting face, estimated from experimental data (e.g. measured cutting force, cutting power), the proposed approach consists of two successive 3D Finite Element calculations and fully independent on the experimental measurements; only the definition of the behaviour of the tool-workpiece couple is necessary. The first one is a 3D thermomechanical modelling of the chip formation process, which allows estimating cutting forces, chip morphology and its flow direction. The second calculation is a 3D thermal modelling of the heat diffusion into the cutting tool, by using an adequate thermal loading (applied uniform or non-uniform heat flux). This loading is estimated using some quantities obtained from the first step calculation, such as contact pressure, sliding velocity distributions and contact area. Comparisons in one hand between experimental data and the first calculation and at the other hand between measured temperatures with embedded thermocouples and the second calculation show a good agreement in terms of cutting forces, chip morphology and cutting temperature.

Quantities for assessing high photon doses to the body: a calculational approach.

PubMed

Eakins, Jonathan S; Ainsbury, Elizabeth A

2018-06-01

Tissue reactions are the most clinically significant consequences of high-dose exposures to ionising radiation. However, currently there is no universally recognized dose quantity that can be used to assess and report generalised risks to individuals following whole body exposures in the high-dose range. In this work, a number of potential dose quantities are presented and discussed, with mathematical modelling techniques employed to compare them and explore when their differences are most or least manifest. The results are interpreted to propose the average (D GRB ) of the absorbed doses to the stomach, small intestine, red bone marrow, and brain as the optimum quantity for informing assessments of risk. A second, maximally conservative dose quantity (D Max ) is also suggested, which places limits on any under-estimates resulting from the adoption of D GRB . The primary aim of this work is to spark debate, with further work required to refine the final choice of quantity or quantities most appropriate for the full range of different potential exposure scenarios.

Carbon Footprint Calculations: An Application of Chemical Principles

ERIC Educational Resources Information Center

Treptow, Richard S.

2010-01-01

Topics commonly taught in a general chemistry course can be used to calculate the quantity of carbon dioxide emitted into the atmosphere by various human activities. Each calculation begins with the balanced chemical equation for the reaction that produces the CO[subscript 2] gas. Stoichiometry, thermochemistry, the ideal gas law, and dimensional…

Interacting hadron resonance gas model in the K -matrix formalism

NASA Astrophysics Data System (ADS)

Dash, Ashutosh; Samanta, Subhasis; Mohanty, Bedangadas

2018-05-01

An extension of hadron resonance gas (HRG) model is constructed to include interactions using relativistic virial expansion of partition function. The noninteracting part of the expansion contains all the stable baryons and mesons and the interacting part contains all the higher mass resonances which decay into two stable hadrons. The virial coefficients are related to the phase shifts which are calculated using K -matrix formalism in the present work. We have calculated various thermodynamics quantities like pressure, energy density, and entropy density of the system. A comparison of thermodynamic quantities with noninteracting HRG model, calculated using the same number of hadrons, shows that the results of the above formalism are larger. A good agreement between equation of state calculated in K -matrix formalism and lattice QCD simulations is observed. Specifically, the lattice QCD calculated interaction measure is well described in our formalism. We have also calculated second-order fluctuations and correlations of conserved charges in K -matrix formalism. We observe a good agreement of second-order fluctuations and baryon-strangeness correlation with lattice data below the crossover temperature.

A post-processor for the PEST code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Priesche, S.; Manickam, J.; Johnson, J.L.

1992-01-01

A new post-processor has been developed for use with output from the PEST tokamak stability code. It allows us to use quantities calculated by PEST and take better advantage of the physical picture of the plasma instability which they can provide. This will improve comparison with experimentally measured quantities as well as facilitate understanding of theoretical studies.

Phase change energy storage for solar dynamic power systems

NASA Technical Reports Server (NTRS)

Chiaramonte, F. P.; Taylor, J. D.

1992-01-01

This paper presents the results of a transient computer simulation that was developed to study phase change energy storage techniques for Space Station Freedom (SSF) solar dynamic (SD) power systems. Such SD systems may be used in future growth SSF configurations. Two solar dynamic options are considered in this paper: Brayton and Rankine. Model elements consist of a single node receiver and concentrator, and takes into account overall heat engine efficiency and power distribution characteristics. The simulation not only computes the energy stored in the receiver phase change material (PCM), but also the amount of the PCM required for various combinations of load demands and power system mission constraints. For a solar dynamic power system in low earth orbit, the amount of stored PCM energy is calculated by balancing the solar energy input and the energy consumed by the loads corrected by an overall system efficiency. The model assumes an average 75 kW SD power system load profile which is connected to user loads via dedicated power distribution channels. The model then calculates the stored energy in the receiver and subsequently estimates the quantity of PCM necessary to meet peaking and contingency requirements. The model can also be used to conduct trade studies on the performance of SD power systems using different storage materials.

Phase change energy storage for solar dynamic power systems

NASA Astrophysics Data System (ADS)

Chiaramonte, F. P.; Taylor, J. D.

This paper presents the results of a transient computer simulation that was developed to study phase change energy storage techniques for Space Station Freedom (SSF) solar dynamic (SD) power systems. Such SD systems may be used in future growth SSF configurations. Two solar dynamic options are considered in this paper: Brayton and Rankine. Model elements consist of a single node receiver and concentrator, and takes into account overall heat engine efficiency and power distribution characteristics. The simulation not only computes the energy stored in the receiver phase change material (PCM), but also the amount of the PCM required for various combinations of load demands and power system mission constraints. For a solar dynamic power system in low earth orbit, the amount of stored PCM energy is calculated by balancing the solar energy input and the energy consumed by the loads corrected by an overall system efficiency. The model assumes an average 75 kW SD power system load profile which is connected to user loads via dedicated power distribution channels. The model then calculates the stored energy in the receiver and subsequently estimates the quantity of PCM necessary to meet peaking and contingency requirements. The model can also be used to conduct trade studies on the performance of SD power systems using different storage materials.

Coulomb correlations in 4d and 5d oxides from first principles—or how spin-orbit materials choose their effective orbital degeneracies

NASA Astrophysics Data System (ADS)

Martins, C.; Aichhorn, M.; Biermann, S.

2017-07-01

The interplay of spin-orbit coupling and Coulomb correlations has become a hot topic in condensed matter theory and is especially important in 4d and 5d transition metal oxides, like iridates or rhodates. Here, we review recent advances in dynamical mean-field theory (DMFT)-based electronic structure calculations for treating such compounds, introducing all necessary implementation details. We also discuss the evaluation of Hubbard interactions in spin-orbit materials. As an example, we perform DMFT calculations on insulating strontium iridate (Sr2IrO4) and its 4d metallic counterpart, strontium rhodate (Sr2RhO4). While a Mott-insulating state is obtained for Sr2IrO4 in its paramagnetic phase, the spectral properties and Fermi surfaces obtained for Sr2RhO4 show excellent agreement with available experimental data. Finally, we discuss the electronic structure of these two compounds by introducing the notion of effective spin-orbital degeneracy as the key quantity that determines the correlation strength. We stress that effective spin-orbital degeneracy introduces an additional axis into the conventional picture of a phase diagram based on filling and on the ratio of interactions to bandwidth, analogous to the degeneracy-controlled Mott transition in d1 perovskites.

Coulomb correlations in 4d and 5d oxides from first principles-or how spin-orbit materials choose their effective orbital degeneracies.

PubMed

Martins, C; Aichhorn, M; Biermann, S

2017-07-05

The interplay of spin-orbit coupling and Coulomb correlations has become a hot topic in condensed matter theory and is especially important in 4d and 5d transition metal oxides, like iridates or rhodates. Here, we review recent advances in dynamical mean-field theory (DMFT)-based electronic structure calculations for treating such compounds, introducing all necessary implementation details. We also discuss the evaluation of Hubbard interactions in spin-orbit materials. As an example, we perform DMFT calculations on insulating strontium iridate (Sr 2 IrO 4 ) and its 4d metallic counterpart, strontium rhodate (Sr 2 RhO 4 ). While a Mott-insulating state is obtained for Sr 2 IrO 4 in its paramagnetic phase, the spectral properties and Fermi surfaces obtained for Sr 2 RhO 4 show excellent agreement with available experimental data. Finally, we discuss the electronic structure of these two compounds by introducing the notion of effective spin-orbital degeneracy as the key quantity that determines the correlation strength. We stress that effective spin-orbital degeneracy introduces an additional axis into the conventional picture of a phase diagram based on filling and on the ratio of interactions to bandwidth, analogous to the degeneracy-controlled Mott transition in d 1 perovskites.

Data on energy-band-gap characteristics of composite nanoparticles obtained by modification of the amorphous potassium polytitanate in aqueous solutions of transition metal salts

PubMed Central

Zimnyakov, D.A.; Sevrugin, A.V.; Yuvchenko, S.A.; Fedorov, F.S.; Tretyachenko, E.V.; Vikulova, M.A.; Kovaleva, D.S.; Krugova, E.Y.; Gorokhovsky, A.V.

2016-01-01

Here we present the data on the energy-band-gap characteristics of composite nanoparticles produced by modification of the amorphous potassium polytitanate in aqueous solutions of different transition metal salts. Band gap characteristics are investigated using diffuse reflection spectra of the obtained powders. Calculated logarithmic derivative quantity of the Kubelka–Munk function reveals a presence of local maxima in the regions 0.5–1.5 eV and 1.6–3.0 eV which correspond to band gap values of the investigated materials. The values might be related to the constituents of the composite nanoparticles and intermediate products of their chemical interaction. PMID:27158654

MESTRN: A Deterministic Meson-Muon Transport Code for Space Radiation

NASA Technical Reports Server (NTRS)

Blattnig, Steve R.; Norbury, John W.; Norman, Ryan B.; Wilson, John W.; Singleterry, Robert C., Jr.; Tripathi, Ram K.

2004-01-01

A safe and efficient exploration of space requires an understanding of space radiations, so that human life and sensitive equipment can be protected. On the way to these sensitive sites, the radiation fields are modified in both quality and quantity. Many of these modifications are thought to be due to the production of pions and muons in the interactions between the radiation and intervening matter. A method used to predict the effects of the presence of these particles on the transport of radiation through materials is developed. This method was then used to develop software, which was used to calculate the fluxes of pions and muons after the transport of a cosmic ray spectrum through aluminum and water. Software descriptions are given in the appendices.

Geometric algebra description of polarization mode dispersion, polarization-dependent loss, and Stokes tensor transformations.

PubMed

Soliman, George; Yevick, David; Jessop, Paul

2014-09-01

This paper demonstrates that numerous calculations involving polarization transformations can be condensed by employing suitable geometric algebra formalism. For example, to describe polarization mode dispersion and polarization-dependent loss, both the material birefringence and differential loss enter as bivectors and can be combined into a single symmetric quantity. Their frequency and distance evolution, as well as that of the Stokes vector through an optical system, can then each be expressed as a single compact expression, in contrast to the corresponding Mueller matrix formulations. The intrinsic advantage of the geometric algebra framework is further demonstrated by presenting a simplified derivation of generalized Stokes parameters that include the electric field phase. This procedure simultaneously establishes the tensor transformation properties of these parameters.

Application of a semi-empirical model for the evaluation of transmission properties of barite mortar.

PubMed

Santos, Josilene C; Tomal, Alessandra; Mariano, Leandro; Costa, Paulo R

2015-06-01

The aim of this study was to estimate barite mortar attenuation curves using X-ray spectra weighted by a workload distribution. A semi-empirical model was used for the evaluation of transmission properties of this material. Since ambient dose equivalent, H(⁎)(10), is the radiation quantity adopted by IAEA for dose assessment, the variation of the H(⁎)(10) as a function of barite mortar thickness was calculated using primary experimental spectra. A CdTe detector was used for the measurement of these spectra. The resulting spectra were adopted for estimating the optimized thickness of protective barrier needed for shielding an area in an X-ray imaging facility. Copyright © 2015 Elsevier Ltd. All rights reserved.

10 CFR 74.51 - Nuclear material control and accounting for strategic special nuclear material.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 2 2012-01-01 2012-01-01 false Nuclear material control and accounting for strategic special nuclear material. 74.51 Section 74.51 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear...

10 CFR 74.51 - Nuclear material control and accounting for strategic special nuclear material.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Nuclear material control and accounting for strategic special nuclear material. 74.51 Section 74.51 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear...

10 CFR 74.51 - Nuclear material control and accounting for strategic special nuclear material.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 2 2013-01-01 2013-01-01 false Nuclear material control and accounting for strategic special nuclear material. 74.51 Section 74.51 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear...

10 CFR 74.51 - Nuclear material control and accounting for strategic special nuclear material.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false Nuclear material control and accounting for strategic special nuclear material. 74.51 Section 74.51 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear...

10 CFR 74.51 - Nuclear material control and accounting for strategic special nuclear material.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 2 2014-01-01 2014-01-01 false Nuclear material control and accounting for strategic special nuclear material. 74.51 Section 74.51 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear...

Measurements of thermophysical properties of solids at the Institute VINČA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Milošević, Nenad, E-mail: nenadm@vinca.rs; Stepanić, Nenad, E-mail: nenad.s@vinca.rs; Terzić, Marijana, E-mail: marijanab@vinca.rs

2016-07-07

This paper presents the Metrological Laboratory for Thermophysical Quantities (MLTV) and its actual measurement possibilities. The MLTV is located in the Department of Thermal Engineering and Energy of the Institute of Nuclear Sciences VINČA in Serbia. It was founded in 1963, accredited by the National Accreditation Body in 2007 and became the national designated laboratory for thermophysical quantities and received the status of a EURAMET Associate Member in 2015. Today, the laboratory develops, maintains and disseminates traceability of different national standards, such as those for thermal conductivity of insulations and poorly conductive solid materials from 250 K to 350 K,more » thermal diffusivity of a large variety of solid materials from 200 K to 1450 K and specific heat and specific electrical resistivity from 250 K to 2400 K of electroconductive solid materials. Total hemispherical and spectral normal emissivity from 1200 K to 2400 K of electroconductive solid materials are also measured in the MLTV. The methods and experimental setups for the realization and measurement of all of these standards and quantities are described with corresponding examples.« less

Optical characterization of natural protective varnishes and their influences on perception of painted samples

NASA Astrophysics Data System (ADS)

Radis, M.; Iacomussi, P.; Aghemo, C.; Rossi, G.

2017-07-01

Interdependence between color and gloss is a concept well-known by artists, especially by old masters, but is not usually considered in material characterization. Indeed, measurement methods and definitions consider these two attributes individually. This research investigates how the available measurement methods for gloss and color (saturation) fit with corresponding perceptual qualities, glossiness and saturation. The definitions of both measured quantities, as well the measurement methodologies, were developed for reference materials (ceramic tiles for color and dark glass specimen for gloss) not representative of artwork materials and do not consider observation conditions similar with those adopted during exhibitions. The prediction of material appearance is recognized as one of the most important challenges in applied metrology, because appearance is the key to achieve effective exhibitions and consumers choices. The results of this study highlight that the two perceived qualities are mutually related, as well the measured quantities: gloss and saturation mutually interfere and the measurement methods and quantities are not uniform with the perceived qualities and the colorimetric coordinate C* no longer describes the perceived saturation.

Intermediate-phase method for computing the natural band offset between two materials with dissimilar structures

NASA Astrophysics Data System (ADS)

Gu, Hui-Jun; Zhang, Yue-Yu; Chen, Shi-You; Xiang, Hong-Jun; Gong, Xin-Gao

2018-06-01

The band offset between different semiconductors is an important physical quantity determining carrier transport properties near the interface in heterostructure devices. Computation of the natural band offset is a longstanding challenge. We propose an intermediate-phase method to predict the natural band offset between two structures with different symmetry, for which the superlattice model cannot be directly constructed. With this method and the intermediate phases obtained by our searching algorithm, we successfully calculate the natural band offsets for two representative systems: (i) zinc-blende CdTe and wurtzite CdS and (ii) diamond and graphite. The calculation shows that the valence band maximum (VBM) of zinc-blende CdTe lies 0.71 eV above that of wurtzite CdS, close to the result 0.76 eV obtained by the three-step method. For the natural band offset between diamond and graphite which could not be computed reliably with any superlattice methods, our calculation shows that the Fermi level of graphite lies 1.51 eV above the VBM of diamond using an intermediate phase. This method, under the assumption that the transitivity rule is valid, can be used to calculate the band offsets between any semiconductors with different symmetry on condition that the intermediate phase is reasonably designed.

New Imidazole-based High Nitrogen Energetic Materials

NASA Astrophysics Data System (ADS)

Windler, G. Kenneth; Leonard, Philip; Schulze, Maxwell; Hartline, Ernest

2017-06-01

Energetic materials derive their power from energy release, usually in the form of gaseous products. The type and quantity of these products contribute to performance and detonation parameters. In particular, high-nitrogen materials produce large quantities of elemental nitrogen, and can be tuned via molecular structure for suitability as propellants (gas generators) or explosives. In this work, the five-membered nitrogen heterocycle imidazole is used as a substrate for a variety of high-nitrogen materials. Substitution of the imidazole ring directly with nitro-, azido-, diazo-, and tetrazole moieties allows for tunable properties of the resultant energetic material. Properties can be further tailored by salt formation at the acidic proton(s) on the molecules. The various combinations of these derivatives are presented, along with the substitution effects on physical, chemical, and explosive properties.

Testing of concrete by laser ablation

DOEpatents

Flesher, Dann J.; Becker, David L.; Beem, William L.; Berry, Tommy C.; Cannon, N. Scott

1997-01-01

A method of testing concrete in a structure in situ, by: directing a succession of pulses of laser radiation at a point on the structure so that each pulse effects removal of a quantity of concrete and transfers energy to the concrete; detecting a characteristic of energy which has been transferred to the concrete; determining, separately from the detecting step, the total quantity of concrete removed by the succession of pulses; and calculating a property of the concrete on the basis of the detected energy characteristic and the determined total quantity of concrete removed.

46 CFR 153.482 - Stripping quantities and interim standards for Category C NLS tanks on ships built before July 1...

Code of Federal Regulations, 2013 CFR

2013-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.482 Stripping quantities and interim standards for Category C NLS tanks on...

46 CFR 153.482 - Stripping quantities and interim standards for Category C NLS tanks on ships built before July 1...

Code of Federal Regulations, 2012 CFR

2012-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.482 Stripping quantities and interim standards for Category C NLS tanks on...

46 CFR 153.482 - Stripping quantities and interim standards for Category C NLS tanks on ships built before July 1...

Code of Federal Regulations, 2014 CFR

2014-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.482 Stripping quantities and interim standards for Category C NLS tanks on...

46 CFR 153.482 - Stripping quantities and interim standards for Category C NLS tanks on ships built before July 1...

Code of Federal Regulations, 2011 CFR

2011-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.482 Stripping quantities and interim standards for Category C NLS tanks on...

46 CFR 153.482 - Stripping quantities and interim standards for Category C NLS tanks on ships built before July 1...

Code of Federal Regulations, 2010 CFR

2010-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.482 Stripping quantities and interim standards for Category C NLS tanks on...

Quark–hadron phase structure, thermodynamics, and magnetization of QCD matter

NASA Astrophysics Data System (ADS)

Nasser Tawfik, Abdel; Magied Diab, Abdel; Hussein, M. T.

2018-05-01

The SU(3) Polyakov linear-sigma model (PLSM) is systematically implemented to characterize the quark-hadron phase structure and to determine various thermodynamic quantities and the magnetization of quantum chromodynamic (QCD) matter. Using mean-field approximation, the dependence of the chiral order parameter on a finite magnetic field is also calculated. Under a wide range of temperatures and magnetic field strengths, various thermodynamic quantities including trace anomaly, speed of sound squared, entropy density, and specific heat are presented, and some magnetic properties are described as well. Where available these results are compared to recent lattice QCD calculations. The temperature dependence of these quantities confirms our previous finding that the transition temperature is reduced with the increase in the magnetic field strength, i.e. QCD matter is characterized by an inverse magnetic catalysis. Furthermore, the temperature dependence of the magnetization showing that QCD matter has paramagnetic properties slightly below and far above the pseudo-critical temperature is confirmed as well. The excellent agreement with recent lattice calculations proves that our QCD-like approach (PLSM) seems to possess the correct degrees of freedom in both the hadronic and partonic phases and describes well the dynamics deriving confined hadrons to deconfined quark-gluon plasma.

Partition functions. I. Improved partition functions and thermodynamic quantities for normal, equilibrium, and ortho and para molecular hydrogen

NASA Astrophysics Data System (ADS)

Popovas, A.; Jørgensen, U. G.

2016-11-01

Context. Hydrogen is the most abundant molecule in the Universe. Its thermodynamic quantities dominate the physical conditions in molecular clouds, protoplanetary disks, etc. It is also of high interest in plasma physics. Therefore thermodynamic data for molecular hydrogen have to be as accurate as possible in a wide temperature range. Aims: We here rigorously show the shortcomings of various simplifications that are used to calculate the total internal partition function. These shortcomings can lead to errors of up to 40 percent or more in the estimated partition function. These errors carry on to calculations of thermodynamic quantities. Therefore a more complicated approach has to be taken. Methods: Seven possible simplifications of various complexity are described, together with advantages and disadvantages of direct summation of experimental values. These were compared to what we consider the most accurate and most complete treatment (case 8). Dunham coefficients were determined from experimental and theoretical energy levels of a number of electronically excited states of H2. Both equilibrium and normal hydrogen was taken into consideration. Results: Various shortcomings in existing calculations are demonstrated, and the reasons for them are explained. New partition functions for equilibrium, normal, and ortho and para hydrogen are calculated and thermodynamic quantities are reported for the temperature range 1-20 000 K. Our results are compared to previous estimates in the literature. The calculations are not limited to the ground electronic state, but include all bound and quasi-bound levels of excited electronic states. Dunham coefficients of these states of H2 are also reported. Conclusions: For most of the relevant astrophysical cases it is strongly advised to avoid using simplifications, such as a harmonic oscillator and rigid rotor or ad hoc summation limits of the eigenstates to estimate accurate partition functions and to be particularly careful when using polynomial fits to the computed values. Reported internal partition functions and thermodynamic quantities in the present work are shown to be more accurate than previously available data. The full datasets in 1 K temperature steps are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/595/A130

Hazardous Material Packaging and Transportation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hypes, Philip A.

2016-02-04

This is a student training course. Some course objectives are to: recognize and use standard international and US customary units to describe activities and exposure rates associated with radioactive material; determine whether a quantity of a single radionuclide meets the definition of a class 7 (radioactive) material; determine, for a given single radionuclide, the shipping quantity activity limits per 49 Code of Federal Regulations (CFR) 173.435; determine the appropriate radioactive material hazard class proper shipping name for a given material; determine when a single radionuclide meets the DOT definition of a hazardous substance; determine the appropriate packaging required for amore » given radioactive material; identify the markings to be placed on a package of radioactive material; determine the label(s) to apply to a given radioactive material package; identify the entry requirements for radioactive material labels; determine the proper placement for radioactive material label(s); identify the shipping paper entry requirements for radioactive material; select the appropriate placards for a given radioactive material shipment or vehicle load; and identify allowable transport limits and unacceptable transport conditions for radioactive material.« less

Track structure simulations at relativistic energies: an update on cross section calculations

NASA Astrophysics Data System (ADS)

Dingfelder, Michael

Charged particle track structure simulations follow the primary, as well as all (produced) sec-ondary particles in an event-by-event matter, from starting or ejection energies down to total stopping. They provide detailed information on the spacial distributions of energy depositions, interaction types, and radical species produced. These quantities provide a starting point to describe the interaction of the radiation with matter of biological interest and to explore and estimate the effects of radiation quality on various biological responses of these systems. Of special interest is liquid water which serves as surrogate for soft tissue. Ionization and excitation cross sections for bare charged particles can be calculated within the framework of the (relativistic) plane-wave Born approximation or the (relativistic) Bethe approximation. Both theories rely on a realistic model of the dielectric response function of the material under consideration and need to address relativistic medium polarization effects like the Fermi-density effect in a consistent way. In this talk we will review and present new and updated aspects of charged particle cross section calculations for relativistic heavy ions with liquid water and other materials of biological interest. This includes an updated model for the dielectric response function of liquid water to better reflect new data from inelastic X-ray scattering (IXS) experiments using synchrotron radiation and a model for the dielectric response function of calcium, which serves as a bone surrogate. We will also discuss the implementation of relativistic effect, especially of the Fermi-density effect into the cross section calculations. This work is supported by the National Aeronautics and Space Administration (NASA), grant no. NNJ04HF39G.

A low tritium hydride bed inventory estimation technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Klein, J.E.; Shanahan, K.L.; Baker, R.A.

2015-03-15

Low tritium hydride beds were developed and deployed into tritium service in Savannah River Site. Process beds to be used for low concentration tritium gas were not fitted with instrumentation to perform the steady-state, flowing gas calorimetric inventory measurement method. Low tritium beds contain less than the detection limit of the IBA (In-Bed Accountability) technique used for tritium inventory. This paper describes two techniques for estimating tritium content and uncertainty for low tritium content beds to be used in the facility's physical inventory (PI). PI are performed periodically to assess the quantity of nuclear material used in a facility. Themore » first approach (Mid-point approximation method - MPA) assumes the bed is half-full and uses a gas composition measurement to estimate the tritium inventory and uncertainty. The second approach utilizes the bed's hydride material pressure-composition-temperature (PCT) properties and a gas composition measurement to reduce the uncertainty in the calculated bed inventory.« less

Noise in x-ray grating-based phase-contrast imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weber, Thomas; Bartl, Peter; Bayer, Florian

Purpose: Grating-based x-ray phase-contrast imaging is a fast developing new modality not only for medical imaging, but as well for other fields such as material sciences. While these many possible applications arise, the knowledge of the noise behavior is essential. Methods: In this work, the authors used a least squares fitting algorithm to calculate the noise behavior of the three quantities absorption, differential phase, and dark-field image. Further, the calculated error formula of the differential phase image was verified by measurements. Therefore, a Talbot interferometer was setup, using a microfocus x-ray tube as source and a Timepix detector for photonmore » counting. Additionally, simulations regarding this topic were performed. Results: It turned out that the variance of the reconstructed phase is only dependent of the total number of photons used to generate the phase image and the visibility of the experimental setup. These results could be evaluated in measurements as well as in simulations. Furthermore, the correlation between absorption and dark-field image was calculated. Conclusions: These results provide the understanding of the noise characteristics of grating-based phase-contrast imaging and will help to improve image quality.« less

Approach to determine measurement uncertainty in complex nanosystems with multiparametric dependencies and multivariate output quantities

NASA Astrophysics Data System (ADS)

Hampel, B.; Liu, B.; Nording, F.; Ostermann, J.; Struszewski, P.; Langfahl-Klabes, J.; Bieler, M.; Bosse, H.; Güttler, B.; Lemmens, P.; Schilling, M.; Tutsch, R.

2018-03-01

In many cases, the determination of the measurement uncertainty of complex nanosystems provides unexpected challenges. This is in particular true for complex systems with many degrees of freedom, i.e. nanosystems with multiparametric dependencies and multivariate output quantities. The aim of this paper is to address specific questions arising during the uncertainty calculation of such systems. This includes the division of the measurement system into subsystems and the distinction between systematic and statistical influences. We demonstrate that, even if the physical systems under investigation are very different, the corresponding uncertainty calculation can always be realized in a similar manner. This is exemplarily shown in detail for two experiments, namely magnetic nanosensors and ultrafast electro-optical sampling of complex time-domain signals. For these examples the approach for uncertainty calculation following the guide to the expression of uncertainty in measurement (GUM) is explained, in which correlations between multivariate output quantities are captured. To illustate the versatility of the proposed approach, its application to other experiments, namely nanometrological instruments for terahertz microscopy, dimensional scanning probe microscopy, and measurement of concentration of molecules using surface enhanced Raman scattering, is shortly discussed in the appendix. We believe that the proposed approach provides a simple but comprehensive orientation for uncertainty calculation in the discussed measurement scenarios and can also be applied to similar or related situations.

A proposed performance index for galactic cosmic ray shielding materials

NASA Technical Reports Server (NTRS)

Wilson, John W.; Wood, J. S.; Shinn, Judy L.; Cucinotta, Francis A.; Nealy, John E.

1993-01-01

In past studies, the reductions in absorbed dose and dose equivalent due to choice of material composition have been used to indicate shield effectiveness against exposure to galactic cosmic rays. However, these quantities are highly inaccurate in assessing shield effectiveness for protection against the biological effects of long-term exposure to the galactic heavy ions. A new quantity for shield performance is defined that correlates well with cell killing and cell transformation behind various shield thicknesses and materials. In addition, a relative performance index is identified that is inversely related to biological injury for different materials at a fixed shield mass and is directly related to the ratio of the fourth- and the second-order linear energy transfer (LET) moments.

A New Eddy Dissipation Rate Formulation for the Terminal Area PBL Prediction System(TAPPS)

NASA Technical Reports Server (NTRS)

Charney, Joseph J.; Kaplan, Michael L.; Lin, Yuh-Lang; Pfeiffer, Karl D.

2000-01-01

The TAPPS employs the MASS model to produce mesoscale atmospheric simulations in support of the Wake Vortex project at Dallas Fort-Worth International Airport (DFW). A post-processing scheme uses the simulated three-dimensional atmospheric characteristics in the planetary boundary layer (PBL) to calculate the turbulence quantities most important to the dissipation of vortices: turbulent kinetic energy and eddy dissipation rate. TAPPS will ultimately be employed to enhance terminal area productivity by providing weather forecasts for the Aircraft Vortex Spacing System (AVOSS). The post-processing scheme utilizes experimental data and similarity theory to determine the turbulence quantities from the simulated horizontal wind field and stability characteristics of the atmosphere. Characteristic PBL quantities important to these calculations are determined based on formulations from the Blackadar PBL parameterization, which is regularly employed in the MASS model to account for PBL processes in mesoscale simulations. The TAPPS forecasts are verified against high-resolution observations of the horizontal winds at DFW. Statistical assessments of the error in the wind forecasts suggest that TAPPS captures the essential features of the horizontal winds with considerable skill. Additionally, the turbulence quantities produced by the post-processor are shown to compare favorably with corresponding tower observations.

27 CFR 555.124 - Records maintained by licensed dealers.

Code of Federal Regulations, 2010 CFR

2010-04-01

... following the date of purchase or other acquisition of explosive materials (except as provided in paragraph... identification. (4) Quantity (applicable quantity units, such as pounds of explosives, number of detonators, number of display fireworks, etc.). (5) Description (dynamite (dyn), blasting agents (ba), detonators...

27 CFR 555.124 - Records maintained by licensed dealers.

Code of Federal Regulations, 2011 CFR

2011-04-01

... following the date of purchase or other acquisition of explosive materials (except as provided in paragraph... identification. (4) Quantity (applicable quantity units, such as pounds of explosives, number of detonators, number of display fireworks, etc.). (5) Description (dynamite (dyn), blasting agents (ba), detonators...

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

PubMed Central

Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

2014-01-01

The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

Use of remote-sensing reflectance to constrain a data assimilating marine biogeochemical model of the Great Barrier Reef

NASA Astrophysics Data System (ADS)

Jones, Emlyn M.; Baird, Mark E.; Mongin, Mathieu; Parslow, John; Skerratt, Jenny; Lovell, Jenny; Margvelashvili, Nugzar; Matear, Richard J.; Wild-Allen, Karen; Robson, Barbara; Rizwi, Farhan; Oke, Peter; King, Edward; Schroeder, Thomas; Steven, Andy; Taylor, John

2016-12-01

Skillful marine biogeochemical (BGC) models are required to understand a range of coastal and global phenomena such as changes in nitrogen and carbon cycles. The refinement of BGC models through the assimilation of variables calculated from observed in-water inherent optical properties (IOPs), such as phytoplankton absorption, is problematic. Empirically derived relationships between IOPs and variables such as chlorophyll-a concentration (Chl a), total suspended solids (TSS) and coloured dissolved organic matter (CDOM) have been shown to have errors that can exceed 100 % of the observed quantity. These errors are greatest in shallow coastal regions, such as the Great Barrier Reef (GBR), due to the additional signal from bottom reflectance. Rather than assimilate quantities calculated using IOP algorithms, this study demonstrates the advantages of assimilating quantities calculated directly from the less error-prone satellite remote-sensing reflectance (RSR). To assimilate the observed RSR, we use an in-water optical model to produce an equivalent simulated RSR and calculate the mismatch between the observed and simulated quantities to constrain the BGC model with a deterministic ensemble Kalman filter (DEnKF). The traditional assumption that simulated surface Chl a is equivalent to the remotely sensed OC3M estimate of Chl a resulted in a forecast error of approximately 75 %. We show this error can be halved by instead using simulated RSR to constrain the model via the assimilation system. When the analysis and forecast fields from the RSR-based assimilation system are compared with the non-assimilating model, a comparison against independent in situ observations of Chl a, TSS and dissolved inorganic nutrients (NO3, NH4 and DIP) showed that errors are reduced by up to 90 %. In all cases, the assimilation system improves the simulation compared to the non-assimilating model. Our approach allows for the incorporation of vast quantities of remote-sensing observations that have in the past been discarded due to shallow water and/or artefacts introduced by terrestrially derived TSS and CDOM or the lack of a calibrated regional IOP algorithm.

Digital ac monitor

DOEpatents

Hart, George W.; Kern, Jr., Edward C.

1987-06-09

An apparatus and method is provided for monitoring a plurality of analog ac circuits by sampling the voltage and current waveform in each circuit at predetermined intervals, converting the analog current and voltage samples to digital format, storing the digitized current and voltage samples and using the stored digitized current and voltage samples to calculate a variety of electrical parameters; some of which are derived from the stored samples. The non-derived quantities are repeatedly calculated and stored over many separate cycles then averaged. The derived quantities are then calculated at the end of an averaging period. This produces a more accurate reading, especially when averaging over a period in which the power varies over a wide dynamic range. Frequency is measured by timing three cycles of the voltage waveform using the upward zero crossover point as a starting point for a digital timer.

Digital ac monitor

DOEpatents

Hart, G.W.; Kern, E.C. Jr.

1987-06-09

An apparatus and method is provided for monitoring a plurality of analog ac circuits by sampling the voltage and current waveform in each circuit at predetermined intervals, converting the analog current and voltage samples to digital format, storing the digitized current and voltage samples and using the stored digitized current and voltage samples to calculate a variety of electrical parameters; some of which are derived from the stored samples. The non-derived quantities are repeatedly calculated and stored over many separate cycles then averaged. The derived quantities are then calculated at the end of an averaging period. This produces a more accurate reading, especially when averaging over a period in which the power varies over a wide dynamic range. Frequency is measured by timing three cycles of the voltage waveform using the upward zero crossover point as a starting point for a digital timer. 24 figs.

75 FR 5258 - Hazardous Materials Transportation; Registration and Fee Assessment Program

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-02

... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part 107 [Docket No. PHMSA-2009-0201 (HM-208H)] RIN 2137-AE47 Hazardous Materials Transportation... transportation, certain categories and quantities of hazardous materials. PHMSA's proposal would provide that...

Calculation of Hazard Category 2/3 Threshold Quantities Using Contemporary Dosimetric Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walker, William C.

The purpose of this report is to describe the methodology and selection of input data utilized to calculate updated Hazard Category 2 and Hazard Category 3 Threshold Quantities (TQs) using contemporary dosimetric information. The calculation of the updated TQs will be considered for use in the revision to the Department of Energy (DOE) Technical Standard (STD-) 1027-92 Change Notice (CN)-1, “Hazard Categorization and Accident Analysis Techniques for Compliance with DOE Order 5480.23, Nuclear Safety Analysis Reports.” The updated TQs documented in this report complement an effort previously undertaken by the National Nuclear Security Administration (NNSA), which in 2014 issued revisedmore » Supplemental Guidance documenting the calculation of updated TQs for approximately 100 radionuclides listed in DOE-STD-1027-92, CN-1. The calculations documented in this report complement the NNSA effort by expanding the set of radionuclides to more than 1,250 radionuclides with a published TQ. The development of this report was sponsored by the Department of Energy’s Office of Nuclear Safety (AU-30) within the Associate Under Secretary for Environment, Health, Safety, and Security organization.« less

27 CFR 24.177 - Chaptalization (Brix adjustment).

Code of Federal Regulations, 2013 CFR

2013-04-01

... may be added before or during fermentation to develop alcohol. The quantity of sugar or concentrated... grape wine is ameliorated after chaptalization, the quantity of pure dry sugar added to juice for... chaptalization, pure dry sugar added under this section is not considered as ameliorating material. However, if...

27 CFR 24.177 - Chaptalization (Brix adjustment).

Code of Federal Regulations, 2014 CFR

2014-04-01

... may be added before or during fermentation to develop alcohol. The quantity of sugar or concentrated... grape wine is ameliorated after chaptalization, the quantity of pure dry sugar added to juice for... chaptalization, pure dry sugar added under this section is not considered as ameliorating material. However, if...

27 CFR 24.177 - Chaptalization (Brix adjustment).

Code of Federal Regulations, 2012 CFR

2012-04-01

... may be added before or during fermentation to develop alcohol. The quantity of sugar or concentrated... grape wine is ameliorated after chaptalization, the quantity of pure dry sugar added to juice for... chaptalization, pure dry sugar added under this section is not considered as ameliorating material. However, if...

27 CFR 24.177 - Chaptalization (Brix adjustment).

Code of Federal Regulations, 2011 CFR

2011-04-01

... may be added before or during fermentation to develop alcohol. The quantity of sugar or concentrated... grape wine is ameliorated after chaptalization, the quantity of pure dry sugar added to juice for... chaptalization, pure dry sugar added under this section is not considered as ameliorating material. However, if...

40 CFR 98.146 - Data reporting requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Glass Production § 98.146 Data reporting requirements. In... this section: (1) Annual quantity of each carbonate-based raw material charged to each continuous glass melting furnace and for all furnaces combined (tons). (2) Annual quantity of glass produced by each glass...

Non-symbolic arithmetic in adults and young children.

PubMed

Barth, Hilary; La Mont, Kristen; Lipton, Jennifer; Dehaene, Stanislas; Kanwisher, Nancy; Spelke, Elizabeth

2006-01-01

Five experiments investigated whether adults and preschool children can perform simple arithmetic calculations on non-symbolic numerosities. Previous research has demonstrated that human adults, human infants, and non-human animals can process numerical quantities through approximate representations of their magnitudes. Here we consider whether these non-symbolic numerical representations might serve as a building block of uniquely human, learned mathematics. Both adults and children with no training in arithmetic successfully performed approximate arithmetic on large sets of elements. Success at these tasks did not depend on non-numerical continuous quantities, modality-specific quantity information, the adoption of alternative non-arithmetic strategies, or learned symbolic arithmetic knowledge. Abstract numerical quantity representations therefore are computationally functional and may provide a foundation for formal mathematics.

Influence of wind speed averaging on estimates of dimethylsulfide emission fluxes

DOE PAGES

Chapman, E. G.; Shaw, W. J.; Easter, R. C.; ...

2002-12-03

The effect of various wind-speed-averaging periods on calculated DMS emission fluxes is quantitatively assessed. Here, a global climate model and an emission flux module were run in stand-alone mode for a full year. Twenty-minute instantaneous surface wind speeds and related variables generated by the climate model were archived, and corresponding 1-hour-, 6-hour-, daily-, and monthly-averaged quantities calculated. These various time-averaged, model-derived quantities were used as inputs in the emission flux module, and DMS emissions were calculated using two expressions for the mass transfer velocity commonly used in atmospheric models. Results indicate that the time period selected for averaging wind speedsmore » can affect the magnitude of calculated DMS emission fluxes. A number of individual marine cells within the global grid show DMS emissions fluxes that are 10-60% higher when emissions are calculated using 20-minute instantaneous model time step winds rather than monthly-averaged wind speeds, and at some locations the differences exceed 200%. Many of these cells are located in the southern hemisphere where anthropogenic sulfur emissions are low and changes in oceanic DMS emissions may significantly affect calculated aerosol concentrations and aerosol radiative forcing.« less

Testing of concrete by laser ablation

DOEpatents

Flesher, D.J.; Becker, D.L.; Beem, W.L.; Berry, T.C.; Cannon, N.S.

1997-01-07

A method is disclosed for testing concrete in a structure in situ, by: directing a succession of pulses of laser radiation at a point on the structure so that each pulse effects removal of a quantity of concrete and transfers energy to the concrete; detecting a characteristic of energy which has been transferred to the concrete; determining, separately from the detecting step, the total quantity of concrete removed by the succession of pulses; and calculating a property of the concrete on the basis of the detected energy characteristic and the determined total quantity of concrete removed. 1 fig.

The Art Recipe Book, Volume One: 60 Non-toxic Art Materials from Readily Available Materials.

ERIC Educational Resources Information Center

Janeczko, Donna

This collection of recipes is intended for art teachers to provide low-cost, non-toxic materials for classroom use. The materials needed are readily available and can be purchased in quantity to help the budget conscious teacher. Recipes included are for modeling materials, edible modeling materials, paints and inks, adhesives, fixatives, and…

Probing spatial locality in ionic liquids with the grand canonical adaptive resolution molecular dynamics technique

NASA Astrophysics Data System (ADS)

Shadrack Jabes, B.; Krekeler, C.; Klein, R.; Delle Site, L.

2018-05-01

We employ the Grand Canonical Adaptive Resolution Simulation (GC-AdResS) molecular dynamics technique to test the spatial locality of the 1-ethyl 3-methyl imidazolium chloride liquid. In GC-AdResS, atomistic details are kept only in an open sub-region of the system while the environment is treated at coarse-grained level; thus, if spatial quantities calculated in such a sub-region agree with the equivalent quantities calculated in a full atomistic simulation, then the atomistic degrees of freedom outside the sub-region play a negligible role. The size of the sub-region fixes the degree of spatial locality of a certain quantity. We show that even for sub-regions whose radius corresponds to the size of a few molecules, spatial properties are reasonably reproduced thus suggesting a higher degree of spatial locality, a hypothesis put forward also by other researchers and that seems to play an important role for the characterization of fundamental properties of a large class of ionic liquids.

10 CFR 74.31 - Nuclear material control and accounting for special nuclear material of low strategic significance.

Code of Federal Regulations, 2010 CFR

2010-01-01

... and maintain a measurement system which assures that all quantities in the material accounting records...) In each inventory period, control total material control and accounting measurement uncertainty so... 10 Energy 2 2010-01-01 2010-01-01 false Nuclear material control and accounting for special...

46 CFR 153.480 - Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986: Categories...

Code of Federal Regulations, 2012 CFR

2012-10-01

..., LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.480 Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986...

46 CFR 153.480 - Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986: Categories...

Code of Federal Regulations, 2013 CFR

2013-10-01

..., LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.480 Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986...

46 CFR 153.480 - Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986: Categories...

Code of Federal Regulations, 2014 CFR

2014-10-01

..., LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.480 Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986...

46 CFR 153.480 - Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986: Categories...

Code of Federal Regulations, 2010 CFR

2010-10-01

..., LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.480 Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986...

46 CFR 153.480 - Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986: Categories...

Code of Federal Regulations, 2011 CFR

2011-10-01

..., LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.480 Stripping quantity for Category B and C NLS tanks on ships built after June 30, 1986...

10 CFR 73.21 - Protection of Safeguards Information: Performance requirements.

Code of Federal Regulations, 2010 CFR

2010-01-01

... maintain an information protection system that includes the applicable measures for Safeguards Information specified in § 73.22 related to: Power reactors; a formula quantity of strategic special nuclear material; transportation of or delivery to a carrier for transportation of a formula quantity of strategic special nuclear...

Waste glass as eco-friendly replacement material in construction products

NASA Astrophysics Data System (ADS)

Sharma, Gayatri; Sharma, Anu

2018-05-01

Atpresent time the biggest issue is increasing urban population, industrialization and development all over the world. The quantity of the raw materials of construction products like cement, concrete etc is gradually depleting. This is important because if we don't find the alternative material to accomplish need of this industry, with every year it will put pressure on natural resources which are limited in quantity. This major issue can be solved by partial replacing with waste glass of different construction products. This paper gives an overview of the current growth and recycling situation of waste glass and point out the direction for the proper use of waste glass as replacement of construction material. These will not only help in the reuse of waste glass but also create eco-friendly environment.

40 CFR 98.397 - Records that must be retained.

Code of Federal Regulations, 2013 CFR

2013-07-01

..., natural gas liquids, and biomass, as well as crude oil quantities measured on site at a refinery... gas liquids, biomass, and feedstocks reported under this subpart. (d) Reporters shall maintain... petroleum product or natural gas liquid for which CO2 emissions were calculated using Calculation...

40 CFR 98.397 - Records that must be retained.

Code of Federal Regulations, 2012 CFR

2012-07-01

..., natural gas liquids, and biomass, as well as crude oil quantities measured on site at a refinery... gas liquids, biomass, and feedstocks reported under this subpart. (d) Reporters shall maintain... petroleum product or natural gas liquid for which CO2 emissions were calculated using Calculation...

40 CFR 98.397 - Records that must be retained.

Code of Federal Regulations, 2011 CFR

2011-07-01

..., natural gas liquids, and biomass, as well as crude oil quantities measured on site at a refinery... gas liquids, biomass, and feedstocks reported under this subpart. (d) Reporters shall maintain... petroleum product or natural gas liquid for which CO2 emissions were calculated using Calculation...

S parameter and pseudo Nambu-Goldstone boson mass from lattice QCD.

PubMed

Shintani, E; Aoki, S; Fukaya, H; Hashimoto, S; Kaneko, T; Matsufuru, H; Onogi, T; Yamada, N

2008-12-12

We present a lattice calculation of L10, one of the low-energy constants in chiral perturbation theory, and the charged-neutral pion squared-mass splitting, using dynamical overlap fermion. The exact chiral symmetry of the overlap fermion allows us to reliably extract these quantities from the difference of the vacuum polarization functions for vector and axial-vector currents. In the context of the technicolor models, these two quantities are read as the S parameter and the pseudo Nambu-Goldstone boson mass, respectively, and play an important role in discriminating the models from others. This calculation can serve as a feasibility study of the lattice techniques for more general technicolor gauge theories.

Integrated Data Collection Analysis (IDCA) Program - Mixing Procedures and Materials Compatibility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olinger, Becky D.; Sandstrom, Mary M.; Warner, Kirstin F.

Three mixing procedures have been standardized for the IDCA proficiency test—solid-solid, solid-liquid, and liquid-liquid. Due to the variety of precursors used in formulating the materials for the test, these three mixing methods have been designed to address all combinations of materials. Hand mixing is recommended for quantities less than 10 grams and Jar Mill mixing is recommended for quantities over 10 grams. Consideration must also be given to the type of container used for the mixing due to the wide range of chemical reactivity of the precursors and mixtures. Eight web site sources from container and chemical manufacturers have beenmore » consulted. Compatible materials have been compiled as a resource for selecting containers made of materials stable to the mixtures. In addition, container materials used in practice by the participating laboratories are discussed. Consulting chemical compatibility tables is highly recommended for each operation by each individual engaged in testing the materials in this proficiency test.« less

Comparison of Grab, Air, and Surface Results for Radiation Site Characterization

NASA Astrophysics Data System (ADS)

Glassford, Eric Keith

2011-12-01

The use of proper sampling methods and sample types for evaluating sites believed to be contaminated with radioactive materials is necessary to avoid misrepresenting conditions at the site. This study was designed to investigate if the site characterization, based upon uranium contamination measured in different types of samples, is dependent upon the mass of the sample collected. A bulk sample of potentially contaminated interior dirt was collected from an abandoned metal processing mill that rolled uranium between 1948 and 1956. The original mill dates from 1910 and has a dirt floor. The bulk sample was a mixture of dirt, black and yellow particles of metal dust, and small fragments of natural debris. Small mass (approximately 0.75 grams (g)) and large mass (approximately 70g) grab samples were prepared from the bulk sample material to simulate collection of a "grab" type sample. Air sampling was performed by re-suspending a portion of the bulk sample material using a vibration table to simulate airborne contamination that might be present during site remediation. Additionally, samples of removable contaminated surface dust were collected on 47 mm diameter filter paper by wiping the surfaces of the exposure chamber used to resuspend the bulk material. Certified reference materials, one containing a precisely known quantity of U 3O8 and one containing a known quantity of natural uranium, were utilized to calibrate the gamma spectrometry measurement system. Non-destructive gamma spectrometry measurements were used to determine the content of uranium-235 (235U) at 185 keV and 143 keV, thorium-234 (234Th) at 63 keV, and protactinium-234m (234mPa) at 1001 keV in each sample. Measurement of natural uranium in small, 1 g samples is usually accomplished by radiochemical analysis in order to measure alpha particles emitted by 238U, 235U, and 234U. However, uranium in larger bulk samples can also be measured non-destructively using gamma spectrometry to detect the low energy photons from 234Th and 234mPa, the short-lived decay products of 238U, and 235U. Two sided t-tests and coefficient of variation were used to compare sampling types. The large grab samples had the lowest calculated coefficient of variation results for activity and atom percentage. The wipe samples had the highest calculated coefficient of variation of mean specific activity (dis/sec/g) for all three energies. The air filter samples had the highest coefficient of variation calculation for mean atom percentage, for both uranium isotopes examined. The data indicated that the large mass sample was the most effective at characterizing the rolling mill radioactive site conditions, since this would indicate which samples had the smallest variations compared to the mean. Additionally, measurement results of natural uranium in the samples indicate that the distribution of radioactive contamination at the sampling location is most likely non-homogeneous and that the size of the sample collected and analyzed must be sufficiently large to insure that the analytical results are truly representative of the activity present.

The hydrodynamic theory of detonation

NASA Technical Reports Server (NTRS)

Langweiler, Heinz

1939-01-01

This report derives equations containing only directly measurable constants for the quantities involved in the hydrodynamic theory of detonation. The stable detonation speed, D, is revealed as having the lowest possible value in the case of positive material velocity, by finding the minimum of the Du curve (u denotes the speed of the gases of combustion). A study of the conditions of energy and impulse in freely suspended detonating systems leads to the disclosure of a rarefaction front traveling at a lower speed behind the detonation front; its velocity is computed. The latent energy of the explosive passes into the steadily growing detonation zone - the region between the detonation front and the rarefaction front. The conclusions lead to a new definition of the concept of shattering power. The calculations are based on the behavior of trinitrotoluene.

Dynamic ductile fracture of a central crack

NASA Technical Reports Server (NTRS)

Tsai, Y. M.

1976-01-01

A central crack, symmetrically growing at a constant speed in a two dimensional ductile material subject to uniform tension at infinity, is investigated using the integral transform methods. The crack is assumed to be the Dugdale crack, and the finite stress condition at the crack tip is satisfied during the propagation of the crack. Exact expressions of solution are obtained for the finite stress condition at the crack tip, the crack shape, the crack opening displacement, and the energy release rate. All those expressions are written as the product of explicit dimensional quantities and a nondimensional dynamic correction function. The expressions reduce to the associated static results when the crack speed tends to zero, and the nondimensional dynamic correction functions were calculated for various values of the parameter involved.

Assessment of the radionuclide composition of "hot particles" sampled in the Chernobyl nuclear power plant fourth reactor unit.

PubMed

Bondarkov, Mikhail D; Zheltonozhsky, Viktor A; Zheltonozhskaya, Maryna V; Kulich, Nadezhda V; Maksimenko, Andrey M; Farfán, Eduardo B; Jannik, G Timothy; Marra, James C

2011-10-01

Fuel-containing materials sampled from within the Chernobyl Nuclear Power Plant (ChNPP) Unit 4 Confinement Shelter were spectroscopically studied for gamma and alpha content. Isotopic ratios for cesium, europium, plutonium, americium, and curium were identified, and the fuel burn-up in these samples was determined. A systematic deviation in the burn-up values based on the cesium isotopes in comparison with other radionuclides was observed. The studies conducted were the first ever performed to demonstrate the presence of significant quantities of 242Cm and 243Cm. It was determined that there was a systematic underestimation of activities of transuranic radionuclides in fuel samples from inside of the ChNPP Confinement Shelter, starting from 241Am (and going higher) in comparison with the theoretical calculations.

76 FR 37283 - Hazardous Materials: Revision to the List of Hazardous Substances and Reportable Quantities

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-27

... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part... under the Federal hazardous materials transportation law (49 U.S.C. 5101-5128). PHMSA carries out the rulemaking responsibilities of the Secretary of Transportation under the Federal hazardous materials...

75 FR 17111 - Hazardous Materials Regulations: Combustible Liquids

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-05

... non-bulk packagings in a revised set of requirements for Class 3 materials, thereby eliminating the... material classed as a combustible liquid in a non-bulk packaging unless the combustible liquid is a... package for limited quantities for Class 7 (radioactive materials) could be transported as a combustible...

Metal Dissipation and Inefficient Recycling Intensify Climate Forcing.

PubMed

Ciacci, Luca; Harper, E M; Nassar, N T; Reck, Barbara K; Graedel, T E

2016-10-07

In the metals industry, recycling is commonly included among the most viable options for climate change mitigation, because using secondary (recycled) instead of primary sources in metal production carries both the potential for significant energy savings and for greenhouse gas emissions reduction. Secondary metal production is, however, limited by the relative quantity of scrap available at end-of-life for two reasons: long product lifespans during use delay the availability of the material for reuse and recycling; and end-of-life recycling rates are low, a result of inefficient collection, separation, and processing. For a few metals, additional losses exist in the form of in-use dissipation. The sum of these lost material flows forms the theoretical maximum potential for future efficiency improvements. Based on a dynamic material flow analysis, we have evaluated these factors from an energy perspective for 50 metals and calculated the corresponding greenhouse gas emissions associated with the supply of lost material from primary sources that would otherwise be used to satisfy demand. A use-by-use examination demonstrates the potential emission gains associated with major application sectors. The results show that minimizing in-use dissipation and constraints to metal recycling have the potential to reduce greenhouse gas emissions from the metal industry by about 13-23%, corresponding to 1% of global anthropogenic greenhouse gas emissions.

On the Calculation of Uncertainty Statistics with Error Bounds for CFD Calculations Containing Random Parameters and Fields

NASA Technical Reports Server (NTRS)

Barth, Timothy J.

2016-01-01

This chapter discusses the ongoing development of combined uncertainty and error bound estimates for computational fluid dynamics (CFD) calculations subject to imposed random parameters and random fields. An objective of this work is the construction of computable error bound formulas for output uncertainty statistics that guide CFD practitioners in systematically determining how accurately CFD realizations should be approximated and how accurately uncertainty statistics should be approximated for output quantities of interest. Formal error bounds formulas for moment statistics that properly account for the presence of numerical errors in CFD calculations and numerical quadrature errors in the calculation of moment statistics have been previously presented in [8]. In this past work, hierarchical node-nested dense and sparse tensor product quadratures are used to calculate moment statistics integrals. In the present work, a framework has been developed that exploits the hierarchical structure of these quadratures in order to simplify the calculation of an estimate of the quadrature error needed in error bound formulas. When signed estimates of realization error are available, this signed error may also be used to estimate output quantity of interest probability densities as a means to assess the impact of realization error on these density estimates. Numerical results are presented for CFD problems with uncertainty to demonstrate the capabilities of this framework.

ab initio MD simulations of geomaterials with ~1000 atoms

NASA Astrophysics Data System (ADS)

Martin, G. B.; Kirtman, B.; Spera, F. J.

2009-12-01

In the last two decades, ab initio studies of materials using Density Functional Theory (DFT) have increased exponentially in popularity. DFT codes are now used routinely to simulate properties of geomaterials--mainly silicates and geochemically important metals such as Fe. These materials are ubiquitous in the Earth’s mantle and core and in terrestrial exoplanets. Because of computational limitations, most First Principles Molecular Dynamics (FPMD) calculations are done on systems of only ~100 atoms for a few picoseconds. While this approach can be useful for calculating physical quantities related to crystal structure, vibrational frequency, and other lattice-scale properties (especially in crystals), it is statistically marginal for duplicating physical properties of the liquid state like transport and structure. In MD simulations in the NEV ensemble, temperature (T), and pressure (P) fluctuations scale as N-1/2; small particle number (N) systems are therefore characterized by greater statistical state point location uncertainty than large N systems. Previous studies have used codes such as VASP where CPU time increases with N2, making calculations with N much greater than 100 impractical. SIESTA (Soler, et al. 2002) is a DFT code that enables electronic structure and MD computations on larger systems (N~103) by making some approximations, such as localized numerical orbitals, that would be useful in modeling some properties of geomaterials. Here we test the applicability of SIESTA to simulate geosilicates, both hydrous and anhydrous, in the solid and liquid state. We have used SIESTA for lattice calculations of brucite, Mg(OH)2, that compare very well to experiment and calculations using CRYSTAL, another DFT code. Good agreement between more classical DFT calculations and SIESTA is needed to justify study of geosilicates using SIESTA across a range of pressures and temperatures relevant to the Earth’s interior. Thus, it is useful to adjust parameters in SIESTA in accordance with calculations from CRYSTAL as a check on feasibility. Results are reported here that suggest SIESTA may indeed be useful to model silicate liquids at very high T and P.

Electrophysiological evidence for differential processing of numerical quantity and order in humans.

PubMed

Turconi, Eva; Jemel, Boutheina; Rossion, Bruno; Seron, Xavier

2004-09-01

It is yet unclear whether the processing of number magnitude and order rely on common or different functional processes and neural substrates. On the one hand, recent neuroimaging studies show that quantity and order coding activate the same areas in the parietal and prefrontal cortices. On the other hand, evidence from developmental and neuropsychological studies suggest dissociated mechanisms for processing quantity and order information. To clarify this issue, the present study investigated the spatio-temporal course of quantity and order coding operations using event-related potentials (ERPs). Twenty-four subjects performed a quantity task (classifying numbers as smaller or larger than 15) and an order task on the same material (classifying numbers as coming before or after 15), as well as a control order task on letters (classifying letters as coming before or after M). Behavioral results showed a classical distance effect (decreasing reaction times [RTs] with increasing distance from the standard) for all tasks. In agreement with previous electrophysiological evidence, this effect was significant on a P2 parietal component for numerical material. However, the difference between processing numbers close or far from the target appeared earlier and was larger on the left hemisphere for quantity processing, while it was delayed and bilateral for order processing. There was also a significant distance effect in all tasks on parietal sites for the following P3 component elicited by numbers, but this effect was larger on prefrontal areas for the order judgment. In conclusion, both quantity and order show similar behavioral effects, but they are associated with different spatio-temporal courses in parietal and prefrontal cortices.

Magnetic micro scavengers: highly porous Ni1‑x Co x Fe2O4 microcubes for efficient disintegration of nitrophenol

NASA Astrophysics Data System (ADS)

Pervaiz, Erum; Syam Azhar Virk, Muhammad; Tareen, Ayesha Khan; Zhang, Bingxue; Zhao, Qiuyan; Wang, Zhenzhen; Yang, Minghui

2018-05-01

The fabrication of functional materials in patterned morphology is focused to obtain remarkable physiognomies of the materials for certain applications. Instead of randomly distributed agglomerated nanoparticles, it is highly desirable to arrange them in a motif, as this directed formation of nanomaterials can have a substantial influence on their performance and activity in various applications. With this perspective, MOF derived hollow cubes of nickel cobalt ferrites have been synthesized via a facile process using sacrificial templates at 600 °C. Microcubes, composed of tiny grains in a size range from 10 nm ± 2 nm were obtained in pure form as a polycrystalline material. The high specific surface area (1185 m2 g‑1) and mesoporous nature of hollow cubic ferrites were found to be excellent adsorbents for nitrophenol at room temperature. The equilibrium quantity of adsorbed nitrophenol was calculated as 47 mg g‑1 ferrite, accomplished in 7 min. Their large surface area, mesopores and hollow nature, in combination with controlled size distribution of grains, have enabled this remarkable utilization of nanoferrites for removal of nitrophenol from water.

Magnetic micro scavengers: highly porous Ni1-x Co x Fe2O4 microcubes for efficient disintegration of nitrophenol.

PubMed

Pervaiz, Erum; Virk, Muhammad Syam Azhar; Tareen, Ayesha Khan; Zhang, Bingxue; Zhao, Qiuyan; Wang, Zhenzhen; Yang, Minghui

2018-05-25

The fabrication of functional materials in patterned morphology is focused to obtain remarkable physiognomies of the materials for certain applications. Instead of randomly distributed agglomerated nanoparticles, it is highly desirable to arrange them in a motif, as this directed formation of nanomaterials can have a substantial influence on their performance and activity in various applications. With this perspective, MOF derived hollow cubes of nickel cobalt ferrites have been synthesized via a facile process using sacrificial templates at 600 °C. Microcubes, composed of tiny grains in a size range from 10 nm ± 2 nm were obtained in pure form as a polycrystalline material. The high specific surface area (1185 m 2 g -1 ) and mesoporous nature of hollow cubic ferrites were found to be excellent adsorbents for nitrophenol at room temperature. The equilibrium quantity of adsorbed nitrophenol was calculated as 47 mg g -1 ferrite, accomplished in 7 min. Their large surface area, mesopores and hollow nature, in combination with controlled size distribution of grains, have enabled this remarkable utilization of nanoferrites for removal of nitrophenol from water.

Phase diagrams and free-energy landscapes for model spin-crossover materials with antiferromagnetic-like nearest-neighbor and ferromagnetic-like long-range interactions

NASA Astrophysics Data System (ADS)

Chan, C. H.; Brown, G.; Rikvold, P. A.

2017-11-01

We present phase diagrams, free-energy landscapes, and order-parameter distributions for a model spin-crossover material with a two-step transition between the high-spin and low-spin states (a square-lattice Ising model with antiferromagnetic-like nearest-neighbor and ferromagnetic-like long-range interactions) [P. A. Rikvold et al., Phys. Rev. B 93, 064109 (2016), 10.1103/PhysRevB.93.064109]. The results are obtained by a recently introduced, macroscopically constrained Wang-Landau Monte Carlo simulation method [Phys. Rev. E 95, 053302 (2017), 10.1103/PhysRevE.95.053302]. The method's computational efficiency enables calculation of thermodynamic quantities for a wide range of temperatures, applied fields, and long-range interaction strengths. For long-range interactions of intermediate strength, tricritical points in the phase diagrams are replaced by pairs of critical end points and mean-field critical points that give rise to horn-shaped regions of metastability. The corresponding free-energy landscapes offer insights into the nature of asymmetric, multiple hysteresis loops that have been experimentally observed in spin-crossover materials characterized by competing short-range interactions and long-range elastic interactions.

Efficient water reduction with gallium phosphide nanowires

PubMed Central

Standing, Anthony; Assali, Simone; Gao, Lu; Verheijen, Marcel A.; van Dam, Dick; Cui, Yingchao; Notten, Peter H. L.; Haverkort, Jos E. M.; Bakkers, Erik P. A. M.

2015-01-01

Photoelectrochemical hydrogen production from solar energy and water offers a clean and sustainable fuel option for the future. Planar III/V material systems have shown the highest efficiencies, but are expensive. By moving to the nanowire regime the demand on material quantity is reduced, and new materials can be uncovered, such as wurtzite gallium phosphide, featuring a direct bandgap. This is one of the few materials combining large solar light absorption and (close to) ideal band-edge positions for full water splitting. Here we report the photoelectrochemical reduction of water, on a p-type wurtzite gallium phosphide nanowire photocathode. By modifying geometry to reduce electrical resistance and enhance optical absorption, and modifying the surface with a multistep platinum deposition, high current densities and open circuit potentials were achieved. Our results demonstrate the capabilities of this material, even when used in such low quantities, as in nanowires. PMID:26183949

Radiological Exposure Devices (RED) Technical Basis for Threat Profile.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bland, Jesse John; Potter, Charles A.; Homann, Steven

Facilities that manufacture, store or transport significant quantities of radiological material must protect against the risk posed by sabotage events. Much of the analysis of this type of event has been focused on the threat from a radiological dispersion device (RDD) or "dirty bomb" scenario, in which a malicious assailant would, by explosives or other means, loft a significant quantity of radioactive material into a plume that would expose and contaminate people and property. Although the consequences in cost and psychological terror would be severe, no intentional RDD terrorism events are on record. Conversely, incidents in which a victim ormore » victims were maliciously exposed to a Radiological Exposure Device (RED), without dispersal of radioactive material, are well documented. This paper represents a technical basis for the threat profile related to the risk of nefarious use of an RED, including assailant and material characterization. Radioactive materials of concern are detailed in Appendix A.« less

40 CFR 86.1837-01 - Rounding of emission measurements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... additional significant figure, in accordance with 40 CFR 1065.20. (b) Fleet average NOX value calculations... calculating credits generated or needed as follows: manufacturers must round to the same number of significant figures that are contained in the quantity of vehicles in the denominator of the equation used to compute...

Infrared spectroscopy of simulated Martian surface materials

NASA Technical Reports Server (NTRS)

Toon, O. B.; Sagan, C.

1978-01-01

Mineralogy inferred from the Viking X-ray fluorescence spectrometry (XRFS) is compared with mineralogy indicated by spectral data. The comparison is done by taking laboratory spectra of Viking analog minerals. Both XRFS and infrared data are consistent with clays as the dominant SiO2 containing minerals on Mars. The X-ray fluorescence data might also be consistent with the dominance of certain mafic SiO2 igneous minerals, but the spectral data are probably inconsistent with such materials. Sulfates, inferred by XRFS, are consistent with the spectral data. Inferences following Mariner 9 that high-SiO2 minerals were important on Mars may have been biased by the presence of sulfates. Calcium carbonate, in the quantities indirectly suggested by XRFS are inconsistent with the spectral data, but smaller quantities of CaCO3 are consistent, as are large quantities of other carbonates.

10 CFR 40.13 - Unimportant quantities of source material.

Code of Federal Regulations, 2014 CFR

2014-01-01

... receives, possesses, uses, transfers or delivers source material in any chemical mixture, compound... source material; but not including commercially manufactured glass brick, pane glass, ceramic tile, or... in this subparagraph shall not be deemed to authorize the chemical, physical or metallurgical...

10 CFR 40.13 - Unimportant quantities of source material.

Code of Federal Regulations, 2013 CFR

2013-01-01

... receives, possesses, uses, transfers or delivers source material in any chemical mixture, compound... percent by weight source material; but not including commercially manufactured glass brick, pane glass... contained in this subparagraph shall not be deemed to authorize the chemical, physical or metallurgical...

10 CFR 40.13 - Unimportant quantities of source material.

Code of Federal Regulations, 2012 CFR

2012-01-01

... receives, possesses, uses, transfers or delivers source material in any chemical mixture, compound... percent by weight source material; but not including commercially manufactured glass brick, pane glass... contained in this subparagraph shall not be deemed to authorize the chemical, physical or metallurgical...

Radiation transport codes for potential applications related to radiobiology and radiotherapy using protons, neutrons, and negatively charged pions

NASA Technical Reports Server (NTRS)

Armstrong, T. W.

1972-01-01

Several Monte Carlo radiation transport computer codes are used to predict quantities of interest in the fields of radiotherapy and radiobiology. The calculational methods are described and comparisions of calculated and experimental results are presented for dose distributions produced by protons, neutrons, and negatively charged pions. Comparisons of calculated and experimental cell survival probabilities are also presented.

Characterization of Navy Solid Waste and Collection and Disposal Practices.

DTIC Science & Technology

1980-01-01

26 A-7 Calculation of Design Capacity for Sample Cases.......A-30 A-8 Incineration Plant Capacities Considered for Economic Analysis ...CONSIDERED FOR ECONOMIC ANALYSIS Approximate Quantity of Plant Design Quantity of No. of Shifts Refuse Generateda Capacityb Refuse Burned Operated (tons/day...including a site visit to the 50-ton/day plant in Yokohama, Japan. (2) A preliminary technoeconomic evaluation of a fluidized bed combustor (preceded

10 CFR Appendix E to Part 73 - Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1

Code of Federal Regulations, 2010 CFR

2010-01-01

... material are synonymous: Category I is a formula quantity of strategic special nuclear material; Category II is special nuclear material of moderate strategic significance or irradiated fuel; and Category III is special nuclear material of low strategic significance. (Verbatim from Annex I to the...

Methodology to Estimate the Quantity, Composition, and Management of Construction and Demolition Debris in the United States

EPA Science Inventory

This report, Methodology to Estimate the Quantity, Composition and Management of Construction and Demolition Debris in the US, was developed to expand access to data on CDD in the US and to support research on CDD and sustainable materials management. Since past US EPA CDD estima...

14 CFR § 1216.306 - Actions normally requiring an EIS.

Code of Federal Regulations, 2014 CFR

2014-01-01

...) § 1216.306 Actions normally requiring an EIS. (a) NASA will prepare an EIS for actions with the potential...) Typical NASA actions normally requiring an EIS include: (1) Development and operation of new launch... using a total quantity of radioactive material greater than the quantity for which the NASA Nuclear...

49 CFR 172.203 - Additional description requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

..., there must be entered for— (1) Anhydrous ammonia. (i) The words “0.2 PERCENT WATER” to indicate the... transportation as “limited quantity,” as authorized by this subchapter, must include the words “Limited Quantity... labels. (6) For a package containing fissile Class 7 (radioactive) material: (i) The words “Fissile...

Recovery of paper and wood for recycling : actual and potential

Treesearch

P. J. Ince; D. B. McKeever

1995-01-01

Quantities of paper and wood recovered annually for recycling were estimated for all principal commercial uses in the United States, based on material consumption and end-use data. Principal categories of commercial uses were identified and relative quantities were compared. Some innovative or novel commercial product developments were identified. The potential for...

27 CFR 19.93 - Quantity determination of spirits in bond.

Code of Federal Regulations, 2010 CFR

2010-04-01

... Miscellaneous Provisions Gauging of Spirits, Wines Or Alcoholic Flavoring Materials § 19.93 Quantity determination of spirits in bond. Where bulk spirits in bond are gauged for determination of tax, or are gauged.... In all other instances where spirits are gauged in bond, gauged for denaturation, or are gauged for...

Quantity and quality benefits of in-service invasive cleaning of trunk mains

NASA Astrophysics Data System (ADS)

Sunny, Iftekhar; Husband, Stewart; Drake, Nick; Mckenzie, Kevan; Boxall, Joby

2017-07-01

Trunk mains are high risk critical infrastructure where poor performance can impact on large numbers of customers. Both quantity (e.g. hydraulic capacity) and quality (e.g. discolouration) of trunk main performance are affected by asset deterioration in the form of particle accumulation at the pipe wall. Trunk main cleaning techniques are therefore desirable to remove such material. However, little is quantified regarding the efficacy of different maintenance interventions or longer-term changes following such cleaning. This paper presents an assessment of quantity and quality performance of a trunk main system pre, post and for 12 months following cleaning using pigging with ice slurry. Hydraulic calibration showed a 7 times roughness height reduction after ice slurry pigging, evidencing substantially improved hydraulic capacity and reduced headloss. Turbidity response due to carefully imposed shear stress increase remained significant after the cleaning intervention, showing that relatively loose material had not been fully removed from the pipe wall. Overall the results demonstrate that cleaning by pigging with ice slurry can be beneficial for quantity performance, but care and further assessment may be necessary to realise the full quality benefits.

Evaluation of fog and rain water collected at Delta Barrage, Egypt as a new resource for irrigated agriculture

NASA Astrophysics Data System (ADS)

Salem, Talaat A.; Omar, Mohie El Din M.; El Gammal, H. A. A.

2017-11-01

Alternative clean water resources are needed in Egypt to face the current water shortage and water quality deterioration. Therefore, this research investigates the suitability of harvesting fog and rain water for irrigation using a pilot fog collector for water quantity, water quality, and economic aspects. A pilot fog collector was installed at one location at Delta Barrage, Egypt. Freeze liquid nitrogen was fixed at the back of the fiberglass sheet to increase the condensation rate. The experiment was conducted during the period from November 2015 to February 2016. In general, all physicochemical variables are observed with higher values in the majority of fog than rain water. The fog is assumed to contain higher concentrations of anthropogenic emissions. TDS in both waters collected are less than 700 mg/l at sodium content less than 60%, classifying these waters as good for various plants under most conditions. In addition, SAR calculated values are less than 3.0 in each of fog and rain water, which proves the water suitability for all irrigated agriculture. Al and Fe concentrations were found common in all samples with values less than the permissible limits of the guidelines. These metals originate from soil material, ash and metal surfaces. The sensitive heavy metals (Cd and Pb) were within the permissible limits of the guideline in fog water, indicating this water is suitable for irrigation. On the contrary, rain water that has heavy metals is not permitted in irrigation water as per the Egyptian law. As per WQI, the rain water is classified as good quality while fog is classified as medium quality. Regarding the water quantity, a significant increase in the harvested fog quantity was observed after cooling the collector surface with freeze liquid nitrogen. The current fog collector produced the lowest water quantity among different fog collectors worldwide. However, these comparative results confirmed that quantity is different from one location to another worldwide even in the same country. The cost of the unit water volume of harvested water by the current pilot collector is relatively low among different collectors worldwide. This study proves that fog harvesting in Egypt is feasible using the current pilot collector in terms of water quantity, water quality, and economy. But it recommends collection of fog at various locations and times, since both water quantity and water quality are variable in time and space. It is more or less viable solution to meet the shortage of water in Egypt.

AIR KERMA TO Hp(3) CONVERSION COEFFICIENTS FOR IEC 61267 RQR X-RAY RADIATION QUALITIES: APPLICATION TO DOSE MONITORING OF THE LENS OF THE EYE IN MEDICAL DIAGNOSTICS.

PubMed

Principi, S; Guardiola, C; Duch, M A; Ginjaume, M

2016-09-01

Recent studies highlight the fact that the new eye lens dose limit can be exceeded in interventional radiology procedures and that eye lens monitoring could be required for these workers. The recommended operational quantity for monitoring of eye lens exposure is the personal dose equivalent at 3 mm depth Hp(3) (ICRU 51). However, there are no available conversion coefficients in international standards, while in the literature coefficients have only been calculated for monoenergetic beams and for ISO 4037-1 X-ray qualities. The aim of this article is to provide air kerma to Hp(3) conversion coefficients for a cylindrical phantom made of ICRU-4 elements tissue-equivalent material for RQR radiation qualities (IEC-61267) from 40 to 120 kV and for angles of incidence from 0 to 180°, which are characteristic of medical workplace. Analytic calculations using interpolation techniques and Monte Carlo modelling have been compared. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

The electronic structure of the high-TC cuprates within the hidden rotating order

NASA Astrophysics Data System (ADS)

Azzouz, M.; Ramakko, B. W.; Presenza-Pitman, G.

2010-09-01

The doping dependence of the Fermi surface and energy distribution curves of the high-TC cuprate materials La2 - xSrxCuO4 and Bi2Sr2CaCu2O8 + δ are analyzed within the rotating antiferromagnetism theory. Using three different quantities; the k-dependent occupation probability, the spectral function, and the chemical potential (energy spectra), the Fermi surface is calculated and compared to experimental data for La2 - xSrxCuO4. The Fermi surface we calculate evolves from hole-like pockets in the underdoped regime to large electron-like contours in the overdoped regime. This is in agreement with recent findings by Sebastian et al for the α-pocket of Y Ba2Cu3O6 + x (2010 Phys. Rev. B 81 214524). In addition, the full width at half maximum of the energy distribution curves is found to behave linearly with their peak position in agreement with experiment for Bi2Sr2CaCu2O8 + δ. The effect of scattering on both the Fermi surface and energy distribution curves is examined.

21 CFR 181.22 - Certain substances employed in the manufacture of food-packaging materials.

Code of Federal Regulations, 2011 CFR

2011-04-01

... food-packaging materials. 181.22 Section 181.22 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT... of food-packaging materials. Prior to the enactment of the food additives amendment to the Federal... manufacturing practice for food-packaging materials includes the restriction that the quantity of any of these...

Biosolids and dredged materials: alternative sources of nutrients for crop productivity and sustainability of pasture-based agroecosystem

USDA-ARS?s Scientific Manuscript database

Domestic sewage sludge or “biosolids” and lake-dredged materials are examples of materials that can be used to cut fertilizer costs in pasture-based animal agriculture. Sustainable biosolids and lake-dredged materials management is based upon controlling and influencing the quantity, quality and cha...

Recycling biosolids and lake-dredged materials to pasture-based animal agriculture: Alternative nutrient sources for forage productivity and sustainability

USDA-ARS?s Scientific Manuscript database

Domestic sewage sludge or biosolids and lake-dredged materials are examples of materials that can be used to cut fertilizer costs in pasture-based animal agriculture. Sustainable biosolids and lake-dredged materials management is based upon controlling and influencing the quantity, quality and chara...

27 CFR 24.250 - Application for use of new treating material or process.

Code of Federal Regulations, 2011 CFR

2011-04-01

... from the testing program conducted by the chemical manufacturer demonstrating the function of the material or process; (7) A list of all chemicals used in compounding the treating material and the quantity... manufacturer or supplier of the treating material or process may be forwarded by the manufacturer or supplier...

27 CFR 24.250 - Application for use of new treating material or process.

Code of Federal Regulations, 2012 CFR

2012-04-01

... from the testing program conducted by the chemical manufacturer demonstrating the function of the material or process; (7) A list of all chemicals used in compounding the treating material and the quantity... manufacturer or supplier of the treating material or process may be forwarded by the manufacturer or supplier...

27 CFR 24.250 - Application for use of new treating material or process.

Code of Federal Regulations, 2013 CFR

2013-04-01

... from the testing program conducted by the chemical manufacturer demonstrating the function of the material or process; (7) A list of all chemicals used in compounding the treating material and the quantity... manufacturer or supplier of the treating material or process may be forwarded by the manufacturer or supplier...

27 CFR 24.250 - Application for use of new treating material or process.

Code of Federal Regulations, 2014 CFR

2014-04-01

... from the testing program conducted by the chemical manufacturer demonstrating the function of the material or process; (7) A list of all chemicals used in compounding the treating material and the quantity... manufacturer or supplier of the treating material or process may be forwarded by the manufacturer or supplier...

Parallel algorithms for islanded microgrid with photovoltaic and energy storage systems planning optimization problem: Material selection and quantity demand optimization

NASA Astrophysics Data System (ADS)

Cao, Yang; Liu, Chun; Huang, Yuehui; Wang, Tieqiang; Sun, Chenjun; Yuan, Yue; Zhang, Xinsong; Wu, Shuyun

2017-02-01

With the development of roof photovoltaic power (PV) generation technology and the increasingly urgent need to improve supply reliability levels in remote areas, islanded microgrid with photovoltaic and energy storage systems (IMPE) is developing rapidly. The high costs of photovoltaic panel material and energy storage battery material have become the primary factors that hinder the development of IMPE. The advantages and disadvantages of different types of photovoltaic panel materials and energy storage battery materials are analyzed in this paper, and guidance is provided on material selection for IMPE planners. The time sequential simulation method is applied to optimize material demands of the IMPE. The model is solved by parallel algorithms that are provided by a commercial solver named CPLEX. Finally, to verify the model, an actual IMPE is selected as a case system. Simulation results on the case system indicate that the optimization model and corresponding algorithm is feasible. Guidance for material selection and quantity demand for IMPEs in remote areas is provided by this method.

10 CFR 39.39 - Records of material use.

Code of Federal Regulations, 2012 CFR

2012-01-01

... used; (2) In the case of unsealed licensed material used for subsurface tracer studies, the radionuclide and quantity of activity used in a particular well and the disposition of any unused tracer...

10 CFR 39.39 - Records of material use.

Code of Federal Regulations, 2013 CFR

2013-01-01

... used; (2) In the case of unsealed licensed material used for subsurface tracer studies, the radionuclide and quantity of activity used in a particular well and the disposition of any unused tracer...

10 CFR 39.39 - Records of material use.

Code of Federal Regulations, 2011 CFR

2011-01-01

... used; (2) In the case of unsealed licensed material used for subsurface tracer studies, the radionuclide and quantity of activity used in a particular well and the disposition of any unused tracer...

10 CFR 39.39 - Records of material use.

Code of Federal Regulations, 2010 CFR

2010-01-01

... used; (2) In the case of unsealed licensed material used for subsurface tracer studies, the radionuclide and quantity of activity used in a particular well and the disposition of any unused tracer...

10 CFR 39.39 - Records of material use.

Code of Federal Regulations, 2014 CFR

2014-01-01

... used; (2) In the case of unsealed licensed material used for subsurface tracer studies, the radionuclide and quantity of activity used in a particular well and the disposition of any unused tracer...

Quantifying object and material surface areas in residences

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hodgson, Alfred T.; Ming, Katherine Y.; Singer, Brett C.

2005-01-05

The dynamic behavior of volatile organic compounds (VOCs) in indoor environments depends, in part, on sorptive interactions between VOCs in the gas phase and material surfaces. Since information on the types and quantities of interior material surfaces is not generally available, this pilot-scale study was conducted in occupied residences to develop and demonstrate a method for quantifying surface areas of objects and materials in rooms. Access to 33 rooms in nine residences consisting of bathrooms, bedroom/offices and common areas was solicited from among research group members living in the East San Francisco Bay Area. A systematic approach was implemented formore » measuring rooms and objects from 300 cm{sup 2} and larger. The ventilated air volumes of the rooms were estimated and surface area-to-volume ratios were calculated for objects and materials, each segregated into 20 or more categories. Total surface area-to-volume ratios also were determined for each room. The bathrooms had the highest total surface area-to-volume ratios. Bedrooms generally had higher ratios than common areas consisting of kitchens, living/dining rooms and transitional rooms. Total surface area-to-volume ratios for the 12 bedrooms ranged between 2.3 and 4.7 m{sup 2} m{sup -3}. The importance of individual objects and materials with respect to sorption will depend upon the sorption coefficients for the various VOC/materials combinations. When combined, the highly permeable material categories, which may contribute to significant interactions, had a median ratio of about 0.5 m{sup 2} m{sup -3} for all three types of rooms.« less

Decay of homogeneous turbulence from a specified state

NASA Technical Reports Server (NTRS)

Deissler, R. G.

1972-01-01

The homogeneous turbulence problem is formulated by first specifying the multipoint velocity correlations or their spectral equivalents at an initial time. Those quantities, together with the correlation or spectral equations, are then used to calculate initial time derivatives of correlations or spectra. The derivatives in turn are used in time series to calculate the evolution of turbulence quantities with time. When the problem is treated in this way, the correlation equations are closed by the initial specification of the turbulence and no closure assumption is necessary. An exponential series which is an iterative solution of the Navier stokes equations gave much better results than a Taylor power series when used with the limited available initial data. In general, the agreement between theory and experiment was good.

3D RISM theory with fast reciprocal-space electrostatics.

PubMed

Heil, Jochen; Kast, Stefan M

2015-03-21

The calculation of electrostatic solute-solvent interactions in 3D RISM ("three-dimensional reference interaction site model") integral equation theory is recast in a form that allows for a computational treatment analogous to the "particle-mesh Ewald" formalism as used for molecular simulations. In addition, relations that connect 3D RISM correlation functions and interaction potentials with thermodynamic quantities such as the chemical potential and average solute-solvent interaction energy are reformulated in a way that calculations of expensive real-space electrostatic terms on the 3D grid are completely avoided. These methodical enhancements allow for both, a significant speedup particularly for large solute systems and a smoother convergence of predicted thermodynamic quantities with respect to box size, as illustrated for several benchmark systems.

Integrability of generalised type II defects in affine Toda field theory

NASA Astrophysics Data System (ADS)

Bristow, Rebecca

2017-11-01

The Liouville integrability of the generalised type II defects is investigated. Full integrability is not considered, only the existence of an infinite number of conserved quantities associated with a system containing a defect. For defects in affine Toda field theories (ATFTs) it is shown that momentum conservation is very likely to be a necessary condition for integrability. The defect Lax matrices which guarantee zero curvature, and so an infinite number of conserved quantities, are calculated for the momentum conserving Tzitzéica defect and the momentum conserving D 4 ATFT defect. Some additional calculations pertaining to the D 4 defect are also carried out to find a more complete set of defect potentials than has appeared previously.

TU-AB-BRC-03: Accurate Tissue Characterization for Monte Carlo Dose Calculation Using Dual-and Multi-Energy CT Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lalonde, A; Bouchard, H

Purpose: To develop a general method for human tissue characterization with dual-and multi-energy CT and evaluate its performance in determining elemental compositions and the associated proton stopping power relative to water (SPR) and photon mass absorption coefficients (EAC). Methods: Principal component analysis is used to extract an optimal basis of virtual materials from a reference dataset of tissues. These principal components (PC) are used to perform two-material decomposition using simulated DECT data. The elemental mass fraction and the electron density in each tissue is retrieved by measuring the fraction of each PC. A stoichiometric calibration method is adapted to themore » technique to make it suitable for clinical use. The present approach is compared with two others: parametrization and three-material decomposition using the water-lipid-protein (WLP) triplet. Results: Monte Carlo simulations using TOPAS for four reference tissues shows that characterizing them with only two PC is enough to get a submillimetric precision on proton range prediction. Based on the simulated DECT data of 43 references tissues, the proposed method is in agreement with theoretical values of protons SPR and low-kV EAC with a RMS error of 0.11% and 0.35%, respectively. In comparison, parametrization and WLP respectively yield RMS errors of 0.13% and 0.29% on SPR, and 2.72% and 2.19% on EAC. Furthermore, the proposed approach shows potential applications for spectral CT. Using five PC and five energy bins reduces the SPR RMS error to 0.03%. Conclusion: The proposed method shows good performance in determining elemental compositions from DECT data and physical quantities relevant to radiotherapy dose calculation and generally shows better accuracy and unbiased results compared to reference methods. The proposed method is particularly suitable for Monte Carlo calculations and shows promise in using more than two energies to characterize human tissue with CT.« less

Computers: Yesterday, Today & Tomorrow.

DTIC Science & Technology

1986-04-07

these repetitive calculations, he progressed through several scientific stages. THE ABACUS Invented more than 4,000 years ago, the abacus is considered...by many to have been the world’s first digital calculator. It uses beads and positional values to represent quantities. The abacus served as man’s...Pascal’s mathematical digital calculator, designed around the concept of serially connected decimal counting gears. These gears were interconnected in a 10

INTEGRATED AND FIBER OPTICS: Calculation and measurement of waveguide characteristics of single-mode fiber waveguides with a depressed cladding

NASA Astrophysics Data System (ADS)

Belov, A. V.; Kurkov, Andrei S.; Chikolini, A. V.

1989-02-01

A method was developed for calculating the effective cutoff length, the size of a mode spot, and the chromatic dispersion over the profile of the refractive index (measured in the preform stage) of single-mode fiber waveguides with a depressed cladding. The results of such calculations are shown to agree with the results of measurements of these quantities.

10 CFR 73.20 - General performance objective and requirements.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 2 2012-01-01 2012-01-01 false General performance objective and requirements. 73.20 Section 73.20 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION OF PLANTS AND MATERIALS... special nuclear material; takes delivery of formula quantities of strategic special nuclear material free...

10 CFR 73.20 - General performance objective and requirements.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 2 2014-01-01 2014-01-01 false General performance objective and requirements. 73.20 Section 73.20 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION OF PLANTS AND MATERIALS... special nuclear material; takes delivery of formula quantities of strategic special nuclear material free...

10 CFR 73.20 - General performance objective and requirements.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 2 2013-01-01 2013-01-01 false General performance objective and requirements. 73.20 Section 73.20 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION OF PLANTS AND MATERIALS... special nuclear material; takes delivery of formula quantities of strategic special nuclear material free...

10 CFR 73.20 - General performance objective and requirements.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false General performance objective and requirements. 73.20 Section 73.20 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION OF PLANTS AND MATERIALS... special nuclear material; takes delivery of formula quantities of strategic special nuclear material free...

29 CFR 1910.252 - General requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

...: (i) Combustible material. Wherever there are floor openings or cracks in the flooring that cannot be closed, precautions shall be taken so that no readily combustible materials on the floor below will be... nature and quantity of the combustible material exposed. (iii) Fire watch. (A) Fire watchers shall be...

10 CFR 74.53 - Process monitoring.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 2 2013-01-01 2013-01-01 false Process monitoring. 74.53 Section 74.53 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear Material § 74.53 Process monitoring. (a) Licensees subject to § 74.51...

10 CFR 74.53 - Process monitoring.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false Process monitoring. 74.53 Section 74.53 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear Material § 74.53 Process monitoring. (a) Licensees subject to § 74.51...

10 CFR 74.53 - Process monitoring.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 2 2012-01-01 2012-01-01 false Process monitoring. 74.53 Section 74.53 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear Material § 74.53 Process monitoring. (a) Licensees subject to § 74.51...

10 CFR 74.53 - Process monitoring.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 2 2014-01-01 2014-01-01 false Process monitoring. 74.53 Section 74.53 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear Material § 74.53 Process monitoring. (a) Licensees subject to § 74.51...

10 CFR 74.55 - Item monitoring.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false Item monitoring. 74.55 Section 74.55 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear Material § 74.55 Item monitoring. (a) Licensees subject to § 74.51...

10 CFR 74.55 - Item monitoring.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 2 2012-01-01 2012-01-01 false Item monitoring. 74.55 Section 74.55 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear Material § 74.55 Item monitoring. (a) Licensees subject to § 74.51...

10 CFR 74.55 - Item monitoring.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 2 2013-01-01 2013-01-01 false Item monitoring. 74.55 Section 74.55 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear Material § 74.55 Item monitoring. (a) Licensees subject to § 74.51...

10 CFR 74.55 - Item monitoring.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 2 2014-01-01 2014-01-01 false Item monitoring. 74.55 Section 74.55 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) MATERIAL CONTROL AND ACCOUNTING OF SPECIAL NUCLEAR MATERIAL Formula Quantities of Strategic Special Nuclear Material § 74.55 Item monitoring. (a) Licensees subject to § 74.51...

Spreadsheet Modeling of (Q,R) Inventory Policies

ERIC Educational Resources Information Center

Cobb, Barry R.

2013-01-01

This teaching brief describes a method for finding an approximately optimal combination of order quantity and reorder point in a continuous review inventory model using a discrete expected shortage calculation. The technique is an alternative to a model where expected shortage is calculated by integration, and can allow students who have not had a…

Estimating the Economic Burden of Rheumatoid Arthritis in Taiwan Using the National Health Insurance Database.

PubMed

Wang, Bruce C M; Hsu, Ping-Ning; Furnback, Wesley; Ney, John; Yang, Ya-Wen; Fang, Chi-Hui; Tang, Chao-Hsiun

2016-03-01

Rheumatoid arthritis (RA) is a chronic autoimmune disease characterized by inflammation and destruction of the joints. This research aims to estimate the economic burden of RA in Taiwan. The National Health Insurance Research Database (NHIRD), a claims-based dataset encompassing 99 % of Taiwan's population, was applied. We used a micro-costing approach for direct healthcare costs and indirect social costs by estimating the quantities and prices of cost categories. Direct costs included surgeries, hospitalizations, medical devices and materials, laboratory tests, and drugs. The costs and quantities of the direct economic burden were calculated based on 2011 data of NHIRD. We identified RA patients and a control cohort matched 1:4 on demographic and clinical covariates to calculate the incremental cost related to RA. Indirect costs were evaluated by missed work (absenteeism) and worker productivity (presenteeism). For the indirect burden, we estimated the rate of absenteeism and presenteeism from a patient survey. Costs were presented in US dollars (US$1 = 30 TWD). A total of 41,269 RA patients were included in the database with incremental total direct cost of US$86,413,971 and indirect cost of US$138,492,987. This resulted in an average incremental direct cost of US$2050 per RA patient. Within direct costs, the largest burdens were associated with drugs (US$73,028,944), laboratory tests (US$6,132,395), and hospitalizations (US$3,208,559). For indirect costs, absenteeism costs and presenteeism costs were US$16,059,681 and US$114,291,687, respectively. The economic burden of RA in Taiwan is driven by indirect healthcare costs, most notably presenteeism.

Estimating the Economic Burden of Rheumatoid Arthritis in Taiwan Using the National Health Insurance Database.

PubMed

Wang, Bruce C M; Hsu, Ping-Ning; Furnback, Wesley; Ney, John; Yang, Ya-Wen; Fang, Chi-Hui; Tang, Chao-Hsiun

Rheumatoid arthritis (RA) is a chronic autoimmune disease characterized by inflammation and destruction of the joints. This research aims to estimate the economic burden of RA in Taiwan. The National Health Insurance Research Database (NHIRD), a claims-based dataset encompassing 99 % of Taiwan's population, was applied. We used a micro-costing approach for direct healthcare costs and indirect social costs by estimating the quantities and prices of cost categories. Direct costs included surgeries, hospitalizations, medical devices and materials, laboratory tests, and drugs. The costs and quantities of the direct economic burden were calculated based on 2011 data of NHIRD. We identified RA patients and a control cohort matched 1:4 on demographic and clinical covariates to calculate the incremental cost related to RA. Indirect costs were evaluated by missed work (absenteeism) and worker productivity (presenteeism). For the indirect burden, we estimated the rate of absenteeism and presenteeism from a patient survey. Costs were presented in US dollars (US$1 = 30 TWD). A total of 41,269 RA patients were included in the database with incremental total direct cost of US$86,413,971 and indirect cost of US$138,492,987. This resulted in an average incremental direct cost of US$2050 per RA patient. Within direct costs, the largest burdens were associated with drugs (US$73,028,944), laboratory tests (US$6,132,395), and hospitalizations (US$3,208,559). For indirect costs, absenteeism costs and presenteeism costs were US$16,059,681 and US$114,291,687, respectively. The economic burden of RA in Taiwan is driven by indirect healthcare costs, most notably presenteeism.

Role of the Euclidean signature in lattice calculations of quasidistributions and other nonlocal matrix elements

NASA Astrophysics Data System (ADS)

Briceño, Raúl A.; Hansen, Maxwell T.; Monahan, Christopher J.

2017-07-01

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate that the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Finally we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters

DOE PAGES

Bruneval, Fabien; Rangel, Tonatiuh; Hamed, Samia M.; ...

2016-07-12

Here, we summarize the MOLGW code that implements density-functional theory and many-body perturbation theory in a Gaussian basis set. The code is dedicated to the calculation of the many-body self-energy within the GW approximation and the solution of the Bethe–Salpeter equation. These two types of calculations allow the user to evaluate physical quantities that can be compared to spectroscopic experiments. Quasiparticle energies, obtained through the calculation of the GW self-energy, can be compared to photoemission or transport experiments, and neutral excitation energies and oscillator strengths, obtained via solution of the Bethe–Salpeter equation, are measurable by optical absorption. The implementation choicesmore » outlined here have aimed at the accuracy and robustness of calculated quantities with respect to measurements. Furthermore, the algorithms implemented in MOLGW allow users to consider molecules or clusters containing up to 100 atoms with rather accurate basis sets, and to choose whether or not to apply the resolution-of-the-identity approximation. Finally, we demonstrate the parallelization efficacy of the MOLGW code over several hundreds of processors.« less

Role of the Euclidean signature in lattice calculations of quasidistributions and other nonlocal matrix elements

DOE PAGES

Briceno, Raul A.; Hansen, Maxwell T.; Monahan, Christopher J.

2017-07-11

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate thatmore » the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Lastly, we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.« less

Recent advances in quantum scattering calculations on polyatomic bimolecular reactions.

PubMed

Fu, Bina; Shan, Xiao; Zhang, Dong H; Clary, David C

2017-12-11

This review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years. These calculations are useful because they provide highly accurate information on the dynamics of chemical reactions which can be compared in detail with experimental results. They also serve as quantum mechanical benchmarks for testing approximate theories which can more readily be applied to more complicated reactions. This review includes theories for calculating quantities such as rate constants which have many important scientific applications.

The characterization of high-density polyethylene/organoclay nanocomposites

NASA Astrophysics Data System (ADS)

Rodrigues, Tathiane Cordeiro; Tavares, Maria Inês Bruno; Soares, Igor Lopes; Moreira, Ana M.

2009-01-01

Polymeric nanocomposites, which are hybrids of polymers and modified inorganic clay with organic surfactants, are extremely attractive in both science and industry. These materials present improvements in such polymer properties as modulus, heat capacity, thermal stability, flame resistance, and so on. Research has been conducted in recent decades to obtain high-quality materials that can be used in applications like food packing, car components, and combustible cells. Polymeric nanocomposites present many advantages in relation to composites due to the quantity of filler added to the polymer and also to the improved properties. In a composite, the quantity of filler must be as high as possible (i.e., over 30%). In the polymeric nanocomposite the quantity of filler varies from 1% to 5% because of the nanosize of the particles. These nanoparticles often have a large surface area that results in improved polymer-matrix properties.

Leveraging metal matrix composites to reduce costs in space mechanisms

NASA Technical Reports Server (NTRS)

Nye, Ted; Claridge, Rex; Walker, Jim

1994-01-01

Advanced metal matrix composites may be one of the most promising technologies for reducing cost in structural components without compromise to strength or stiffness. A microlight 12.50 N (2.81 lb), two-axis, solar array drive assembly (SADA) was made for the Advanced Materials Applications to Space Structures (AMASS) Program flight experiment. The SADA had both its inner and outer axis housings fabricated from silicon carbide particulate reinforced alumimun. Two versions of the housings were made. The first was machined from a solid billet of material. The second was plaster cast to a near net shape that required minimal finish machining. Both manufacturing methods were compared upon completion. Results showed a cost savings with the cast housing was possible for quantities greater than one and probable for quantities greater than two. For quantities approaching ten, casting resulted in a reduction factor of almost three in the cost per part.

Inventory simulation tools: Separating nuclide contributions to radiological quantities

NASA Astrophysics Data System (ADS)

Gilbert, Mark R.; Fleming, Michael; Sublet, Jean-Christophe

2017-09-01

The activation response of a material is a primary factor considered when evaluating its suitability for a nuclear application. Various radiological quantities, such as total (becquerel) activity, decay heat, and γ dose, can be readily predicted via inventory simulations, which numerically evolve in time the composition of a material under exposure to neutron irradiation. However, the resulting data sets can be very complex, often necessarily resulting in an over-simplification of the results - most commonly by just considering total response metrics. A number of different techniques for disseminating more completely the vast amount of data output from, in particular, the FISPACT-II inventory code system, including importance diagrams, nuclide maps, and primary knock-on atom (PKA) spectra, have been developed and used in scoping studies to produce database reports for the periodic table of elements. This paper introduces the latest addition to this arsenal - standardised and automated plotting of the time evolution in a radiological quantity for a given material separated by contributions from dominant radionuclides. Examples for relevant materials under predicted fusion reactor conditions, and for bench-marking studies against decay-heat measurements, demonstrate the usefulness and power of these radionuclide-separated activation plots. Note to the reader: the pdf file has been changed on September 22, 2017.

Methods of Predicting Solid Waste Characteristics.

ERIC Educational Resources Information Center

Boyd, Gail B.; Hawkins, Myron B.

The project summarized by this report involved a preliminary design of a model for estimating and predicting the quantity and composition of solid waste and a determination of its feasibility. The novelty of the prediction model is that it estimates and predicts on the basis of knowledge of materials and quantities before they become a part of the…

High pressure behaviour of uranium dicarbide (UC{sub 2}): Ab-initio study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sahoo, B. D., E-mail: bdsahoo@barc.gov.in; Mukherjee, D.; Joshi, K. D.

2016-08-28

The structural stability of uranium dicarbide has been examined under hydrostatic compression employing evolutionary structure search algorithm implemented in the universal structure predictor: evolutionary Xtallography (USPEX) code in conjunction with ab-initio electronic band structure calculation method. The ab-initio total energy calculations involved for this purpose have been carried out within both generalized gradient approximations (GGA) and GGA + U approximations. Our calculations under GGA approximation predict the high pressure structural sequence of tetragonal → monoclinic → orthorhombic for this material with transition pressures of ∼8 GPa and 42 GPa, respectively. The same transition sequence is predicted by calculations within GGA + U also with transition pressuresmore » placed at ∼24 GPa and ∼50 GPa, respectively. Further, on the basis of comparison of zero pressure equilibrium volume and equation of state with available experimental data, we find that GGA + U approximation with U = 2.5 eV describes this material better than the simple GGA approximation. The theoretically predicted high pressure structural phase transitions are in disagreement with the only high experimental study by Dancausse et al. [J. Alloys. Compd. 191, 309 (1993)] on this compound which reports a tetragonal to hexagonal phase transition at a pressure of ∼17.6 GPa. Interestingly, during lowest enthalpy structure search using USPEX, we do not see any hexagonal phase to be closer to the predicted monoclinic phase even within 0.2 eV/f. unit. More experiments with varying carbon contents in UC{sub 2} sample are required to resolve this discrepancy. The existence of these high pressure phases predicted by static lattice calculations has been further substantiated by analyzing the elastic and lattice dynamic stability of these structures in the pressure regimes of their structural stability. Additionally, various thermo-physical quantities such as equilibrium volume, bulk modulus, Debye temperature, thermal expansion coefficient, Gruneisen parameter, and heat capacity at ambient conditions have been determined from these calculations and compared with the available experimental data.« less

Virtual Parts Engineering Research Center

DTIC Science & Technology

2010-05-20

engineering 10 materials. High strength alloys , composites (polymer composites and metallic composites), and the like cannot merely be replaced by...ceramics, smart materials, shape memory alloys , super plastic materials and nano- structured materials may be more appropriate substitutes in a reverse...molding process using thermosetting Bakelite. For remanufacturing the part in small quantities, machining has been identified as the most economical

One-year assessment of joint procurement of pharmaceuticals in the public health sector in Jordan.

PubMed

Al-Abbadi, Ibrahim; Qawwas, Abdelraouf; Jaafreh, Mahmoud; Abosamen, Taher; Saket, Maisa

2009-06-01

About 10% of the gross domestic product in Jordan is spent on health care, and almost one third of that is spent on pharmaceuticals. The public health sector in Jordan has 4 main governmental parties that purchase medicines independently through annual tenders (ie, the process of bidding, being awarded, ordering, paying for, and receiving drugs) issued in the generic (or scientific) name of the medicines or therapeutic groups. Double purchasing is a problem that leads to higher spending on drugs and poor availability of medicines throughout the year. To remedy this problem, a joint procurement process was established in Jordan in 2004 and went into practice in 2006. The aim of this research was to assess the first year of purchasing pharmaceuticals in the public health sector in Jordan through the joint procurement process for the 4 participating parties in comparison with purchasing pharmaceuticals independently before the institution of joint procurement. The first tender under the joint procurement process was issued in 2007 for antibiotics, anti-HIV medications, and antituberculosis agents, which represent 15% of the annual pharmaceutical public-sector purchases in Jordan. A research committee solicited lists of purchased quantities and final purchase prices of these pharmaceuticals obtained in 2006 by each participating group and in 2007 through the joint procurement process. The quantity-comparison method was used to compare the costs of drugs purchased in 2006 and 2007, and estimated cost savings were calculated for each product for each party for 2006 and 2007 under the assumption that the same quantities purchased by each participating party in 2006 would be purchased through joint procurement (prices of 2007). Purchasing through the joint procurement process achieved an estimated savings of 2.4%. This savings increased to 8.9% after excluding 1 item (a cephalosporin), the raw material price of which increased markedly in 2007 compared with 2006 because of an international shortage of raw materials. Based on these initial findings, applying a joint procurement system for pharmaceuticals in the public health sector in Jordan has potential to reduce expenditures for the purchase of medicines and provide treatment continuously throughout the year.

49 CFR 171.16 - Detailed hazardous materials incident reports.

Code of Federal Regulations, 2014 CFR

2014-10-01

... quantity of hazardous waste; (3) A specification cargo tank with a capacity of 1,000 gallons or greater..., DC 20590-0001, or an electronic Hazardous Material Incident Report to the Information System Manager..., submit a written or electronic copy of the Hazardous Materials Incident Report to the FAA Security Field...

49 CFR 171.16 - Detailed hazardous materials incident reports.

Code of Federal Regulations, 2012 CFR

2012-10-01

... quantity of hazardous waste; (3) A specification cargo tank with a capacity of 1,000 gallons or greater..., DC 20590-0001, or an electronic Hazardous Material Incident Report to the Information System Manager..., submit a written or electronic copy of the Hazardous Materials Incident Report to the FAA Security Field...

49 CFR 171.16 - Detailed hazardous materials incident reports.

Code of Federal Regulations, 2013 CFR

2013-10-01

... quantity of hazardous waste; (3) A specification cargo tank with a capacity of 1,000 gallons or greater..., DC 20590-0001, or an electronic Hazardous Material Incident Report to the Information System Manager..., submit a written or electronic copy of the Hazardous Materials Incident Report to the FAA Security Field...

78 FR 51213 - In the Matter of Certain Licensees Requesting Unescorted Access to Radioactive Material; Order...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-20

... license authorizes it to perform services on devices containing certain radioactive material for customers... Possess Sources Containing Radioactive Material Quantities of Concern,'' stated that ``service providers..., Fingerprinting Order, paragraph IC 1.c of the prior Order was superseded by the requirement that ``Service...

76 FR 56872 - Information Collection Activities

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-14

...- controlled quantity of a Class 7 (radioactive) material; (2) more than 25 kg (55 lbs) of a Division 1.1, 1.2... inhalation in hazard zone A; (4) a shipment of hazardous materials in a bulk packaging with a capacity equal... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No...

10 CFR 11.11 - General requirements.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false General requirements. 11.11 Section 11.11 Energy NUCLEAR... SPECIAL NUCLEAR MATERIAL Requirements for Special Nuclear Material Access Authorization § 11.11 General..., formula quantities of special nuclear material (as defined in part 73 of this chapter) subject to the...

10 CFR 11.11 - General requirements.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false General requirements. 11.11 Section 11.11 Energy NUCLEAR... SPECIAL NUCLEAR MATERIAL Requirements for Special Nuclear Material Access Authorization § 11.11 General..., formula quantities of special nuclear material (as defined in part 73 of this chapter) subject to the...

10 CFR 11.11 - General requirements.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 1 2012-01-01 2012-01-01 false General requirements. 11.11 Section 11.11 Energy NUCLEAR... SPECIAL NUCLEAR MATERIAL Requirements for Special Nuclear Material Access Authorization § 11.11 General..., formula quantities of special nuclear material (as defined in part 73 of this chapter) subject to the...

10 CFR 11.11 - General requirements.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 1 2014-01-01 2014-01-01 false General requirements. 11.11 Section 11.11 Energy NUCLEAR... SPECIAL NUCLEAR MATERIAL Requirements for Special Nuclear Material Access Authorization § 11.11 General..., formula quantities of special nuclear material (as defined in part 73 of this chapter) subject to the...

10 CFR 11.11 - General requirements.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 1 2013-01-01 2013-01-01 false General requirements. 11.11 Section 11.11 Energy NUCLEAR... SPECIAL NUCLEAR MATERIAL Requirements for Special Nuclear Material Access Authorization § 11.11 General..., formula quantities of special nuclear material (as defined in part 73 of this chapter) subject to the...

10 CFR 36.69 - Irradiation of explosive or flammable materials.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 1 2014-01-01 2014-01-01 false Irradiation of explosive or flammable materials. 36.69... IRRADIATORS Operation of Irradiators § 36.69 Irradiation of explosive or flammable materials. (a) Irradiation... cause radiation overexposures of personnel. (b) Irradiation of more than small quantities of flammable...

10 CFR 36.69 - Irradiation of explosive or flammable materials.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 1 2013-01-01 2013-01-01 false Irradiation of explosive or flammable materials. 36.69... IRRADIATORS Operation of Irradiators § 36.69 Irradiation of explosive or flammable materials. (a) Irradiation... cause radiation overexposures of personnel. (b) Irradiation of more than small quantities of flammable...

10 CFR 36.69 - Irradiation of explosive or flammable materials.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Irradiation of explosive or flammable materials. 36.69... IRRADIATORS Operation of Irradiators § 36.69 Irradiation of explosive or flammable materials. (a) Irradiation... cause radiation overexposures of personnel. (b) Irradiation of more than small quantities of flammable...

10 CFR 36.69 - Irradiation of explosive or flammable materials.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Irradiation of explosive or flammable materials. 36.69... IRRADIATORS Operation of Irradiators § 36.69 Irradiation of explosive or flammable materials. (a) Irradiation... cause radiation overexposures of personnel. (b) Irradiation of more than small quantities of flammable...

10 CFR 36.69 - Irradiation of explosive or flammable materials.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 1 2012-01-01 2012-01-01 false Irradiation of explosive or flammable materials. 36.69... IRRADIATORS Operation of Irradiators § 36.69 Irradiation of explosive or flammable materials. (a) Irradiation... cause radiation overexposures of personnel. (b) Irradiation of more than small quantities of flammable...

Electromagnetic mixing laws: A supersymmetric approach

NASA Astrophysics Data System (ADS)

Niez, J. J.

2010-02-01

In this article we address the old problem of finding the effective dielectric constant of materials described either by a local random dielectric constant, or by a set of non-overlapping spherical inclusions randomly dispersed in a host. We use a unified theoretical framework, such that all the most important Electromagnetic Mixing Laws (EML) can be recovered as the first iterative step of a family of results, thus opening the way to future improvements through the refinements of the approximation schemes. When the material is described by a set of immersed inclusions characterized by their spatial correlation functions, we exhibit an EML which, being featured by a minimal approximation scheme, does not come from the multiple scattering paradigm. It is made of a pure Hori-Yonezawa formula, corrected by a power series of the inclusion density. The coefficients of the latter, which are given as sums of standard diagrams, are recast into electromagnetic quantities which calculation is amenable numerically thanks to codes available on the web. The methods used and developed in this work are generic and can be used in a large variety of areas ranging from mechanics to thermodynamics.

Electronic properties of moire superlattice bands in layered two dimensional materials

NASA Astrophysics Data System (ADS)

Jung, Jeil

2014-03-01

When atomically thin two-dimensional materials are layered they often form incommensurate non-crystalline structures that exhibit long period moiré patterns when examined by scanning probes. In this talk, I will present a theoretical method which can be used to derive an effective Hamiltonian for these twisted van der Waals heterostructures using input from ab initio calculations performed on short-period crystalline structures. I will argue that the effective Hamiltonian can quantitatively describe the electronic properties of these layered systems for arbitrary twist angle and lattice constants. Applying this method to the important cases of graphene on graphene and graphene on hexagonal-boron nitride, I will present a series of experimentally observable quantities that can be extracted from their electronic structure, including their density of states and local density of states as a function of twist angle, and compare with available experiments. Work done in collaboration with Allan MacDonald, Shaffique Adam, Arnaud Raoux, Zhenhua Qiao, and Ashley DaSilva; and supported by the Singapore National Research Foundation Fellowship NRF-NRFF2012-01.

Modeling of Ti-W Solidification Microstructures Under Additive Manufacturing Conditions

NASA Astrophysics Data System (ADS)

Rolchigo, Matthew R.; Mendoza, Michael Y.; Samimi, Peyman; Brice, David A.; Martin, Brian; Collins, Peter C.; LeSar, Richard

2017-07-01

Additive manufacturing (AM) processes have many benefits for the fabrication of alloy parts, including the potential for greater microstructural control and targeted properties than traditional metallurgy processes. To accelerate utilization of this process to produce such parts, an effective computational modeling approach to identify the relationships between material and process parameters, microstructure, and part properties is essential. Development of such a model requires accounting for the many factors in play during this process, including laser absorption, material addition and melting, fluid flow, various modes of heat transport, and solidification. In this paper, we start with a more modest goal, to create a multiscale model for a specific AM process, Laser Engineered Net Shaping (LENS™), which couples a continuum-level description of a simplified beam melting problem (coupling heat absorption, heat transport, and fluid flow) with a Lattice Boltzmann-cellular automata (LB-CA) microscale model of combined fluid flow, solute transport, and solidification. We apply this model to a binary Ti-5.5 wt pct W alloy and compare calculated quantities, such as dendrite arm spacing, with experimental results reported in a companion paper.

Optical demodulation system for digitally encoded suspension array in fluoroimmunoassay

NASA Astrophysics Data System (ADS)

He, Qinghua; Li, Dongmei; He, Yonghong; Guan, Tian; Zhang, Yilong; Shen, Zhiyuan; Chen, Xuejing; Liu, Siyu; Lu, Bangrong; Ji, Yanhong

2017-09-01

A laser-induced breakdown spectroscopy and fluorescence spectroscopy-coupled optical system is reported to demodulate digitally encoded suspension array in fluoroimmunoassay. It takes advantage of the plasma emissions of assembled elemental materials to digitally decode the suspension array, providing a more stable and accurate recognition to target biomolecules. By separating the decoding procedure of suspension array and adsorption quantity calculation of biomolecules into two independent channels, the cross talk between decoding and label signals in traditional methods had been successfully avoided, which promoted the accuracy of both processes and realized more sensitive quantitative detection of target biomolecules. We carried a multiplexed detection of several types of anti-IgG to verify the quantitative analysis performance of the system. A limit of detection of 1.48×10-10 M was achieved, demonstrating the detection sensitivity of the optical demodulation system.

ASSESSMENT OF THE RADIONUCLIDE COMPOSITION OF "HOT PARTICLES" SAMPLED IN THE CHERNOBYL NUCLEAR POWER PLANT FOURTH REACTOR UNIT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farfan, E.; Jannik, T.; Marra, J.

2011-10-01

Fuel-containing materials sampled from within the Chernobyl Nuclear Power Plant (ChNPP) 4th Reactor Unit Confinement Shelter were spectroscopically studied for gamma and alpha content. Isotopic ratios for cesium, europium, plutonium, americium, and curium were identified and the fuel burnup in these samples was determined. A systematic deviation in the burnup values based on the cesium isotopes, in comparison with other radionuclides, was observed. The conducted studies were the first ever performed to demonstrate the presence of significant quantities of {sup 242}Cm and {sup 243}Cm. It was determined that there was a systematic underestimation of activities of transuranic radionuclides in fuelmore » samples from inside of the ChNPP Confinement Shelter, starting from {sup 241}Am (and going higher), in comparison with the theoretical calculations.« less

The coupling between hydrodynamic and purification efficiencies of ecological porous spur-dike in field drainage ditch

NASA Astrophysics Data System (ADS)

Rao, Lei; Wang, Pei-fang; Dai, Qing-song; Wang, Chao

2018-05-01

In this study, a series of ecological porous spur-dikes are arranged in an experiment channel to simulate a real field drainage ditch. The inside and outside flow fields of spur-dikes are determined by numerical simulations and experimental methods. An Ammonia-Nitrogen (NH3-N) degradation evaluation model is built to calculate the pollution removal rate by coupling with the inner flow field of the porous spur-dikes. The variations of the total pollutant removal rate in the channel are discussed in terms of different porosities and gap distances between spur-dikes and inlet flow velocities. It is indicated that a reasonable parameter matching of the porosity and the gap distance with the flow velocity of the ditch can bring about a satisfactory purification efficiency with a small delivery quantity of ecological porous materials.

Glide-Plane Symmetry and Superconducting Gap Structure of Iron-Based Superconductors

NASA Astrophysics Data System (ADS)

Maier, Thomas

This talk will provide a review of the implications of the glide plane symmetry of a single Fe-pnictide/chalcogen plane on the structure of the superconducting gap. It will be shown that `` η-pairing'' with non-zero total momentum occurs inevitably in this system, but that its contribution to the superconducting condensate has the usual even parity symmetry and time reversal symmetry is preserved. I will demonstrate that for a single plane the gap function, which appears in physical quantities, is identical to that found in 1 Fe per unit cell pseudo-crystal momentum calculations and discuss the effects of the symmetry breaking out-of-plane hopping integrals in three dimensions. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility.

The model of self-compensation and pinning of the Fermi level in irradiated semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brudnyi, V. N.; Kolin, N. G.; Smirnov, L. S.

2007-09-15

A model is developed to analyze numerically the electrical properties and the steady-state (limiting) position of the Fermi level (F{sub lim}) in tetrahedral semiconductors irradiated with high-energy particles. It is shown that an irradiated semiconductor represents a highly compensated material, in which F{sub lim} is identical to /2, where is the average energy gap between the conduction band and valence band within the entire Brillouin zone of the crystal. The experimental values of F{sub lim}, the calculated values of /2, and the data on the electrical properties of irradiated semiconductors are presented. The chemical trends controllingmore » the variation in the quantity F{sub lim} in groups of semiconductors with the similar types of chemical bonding are analyzed.« less

Traceable measurements of small forces and local mechanical properties

NASA Astrophysics Data System (ADS)

Campbellová, Anna; Valtr, Miroslav; Zůda, Jaroslav; Klapetek, Petr

2011-09-01

Measurement of local mechanical properties is an important topic in the fields of nanoscale device fabrication, thin film deposition and composite material development. Nanoindentation instruments are commonly used to study hardness and related mechanical properties at the nanoscale. However, traceability and uncertainty aspects of the measurement process often remain left aside. In this contribution, the use of a commercial nanoindentation instrument for metrology purposes will be discussed. Full instrument traceability, provided using atomic force microscope cantilevers and a mass comparator (normal force), interferometer (depth) and atomic force microscope (area function) is described. The uncertainty of the loading/unloading curve measurements will be analyzed and the resulting uncertainties for quantities, that are computed from loading curves such as hardness or elastic modulus, are studied. For this calculation a combination of uncertainty propagation law and Monte Carlo uncertainty evaluations are used.

Solving an emergency rescue materials problem under the joint reserves mode of government and framework agreement suppliers

PubMed Central

Sun, Xiao-Qing; Zhu, Rui; Li, Ming; Miao, Wang

2017-01-01

Emergency rescue material reserves are vital for the success of emergency rescue activities. In this study, we consider a situation where a government owned distribution center and framework agreement suppliers jointly store emergency rescue materials. Using a scenario-based approach to represent demand uncertainty, we propose a comprehensive transportation pattern for the following supply chain: “suppliers—government distribution center—disaster area.” Using a joint reserves model that includes the government and framework agreement suppliers, we develop a non-linear mathematic model that determines the choices of the framework suppliers, the corresponding optimal commitment quantities, and the quantity of materials that are stored at a government distribution center. Finally, we use IBM ILOG CPLEX to solve the numerical examples to verify the effectiveness of the mode and perform sensitivity analyses on the relevant parameters. PMID:29077722

Measurement of some potentially hazardous materials in the atmosphere of rubber factories.

PubMed Central

Nutt, A

1976-01-01

Two separate topics of work are outlined: methods for the measurement of chlorinated monomers in PVC and polychloroprene, and also methods for the measurement of these materials in factory air. Typical results which have been obtained in supplies of raw materials, in finished products, and in the working atmosphere at manufacturing operations are given. The second topic concerns the measurement of benzo[a]pyrene in the atmosphere of a tire manufacturing plant. This material is present in trace quantities in the mineral oils and carbon blacks used by the industry. The atmospheric concentrations present at various processes in this plant were measured on a daily basis over a period of two years, and the results obtained compared with results taken concurrently from an outside air station. It is shown that no significant quantities of benzo[a]pyrene are produced by tire manufacturing operations. Images FIGURE 1. FIGURE 2. FIGURE 4. FIGURE 5. PMID:1026396

[Influence of the fluoride releasing dental materials on the bacterial flora of dental plaque].

PubMed

Płuciennik, Małgorzata; Sakowska, Danuta; Krzemiński, Zbigniew; Piatowska, Danuta

2008-01-01

The assessment of influence of silver-free, fluor releasing dental materials on dental plaque bacteria quantity. 17 patients were included into the study. 51 restorations were placed following manufacturers recommendations. Following materials were used: conventional glassionomer Ketac-Molar ESPE, resin modified glassionomer Fuji II LC GC and fluor containing composite Charisma Heraeus Kulzer Class V restorations were placed in following teeth of upper and lower jaw: canines, first bicuspids, second bicuspids. Sound enamel was a control. After 10 weeks the 72 hours old dental plaque was collected from surface of restorations and control using sterile probe. Total amount of 68 dental plaques were investigated. Each plaque was placed on scaled and sterile aluminum foil. The moist weight of dental plaque was scaled. Dental plaque was moved into 7 ml 0.85% NaCl solution reduced by cystein chlorine hydrogen and disintegrated by ultrasounds (power:100 Watt, wave amplitude: 5 micorm). The suspension of dental plaque was serially diluted from 10(-4) to 10(-5) in sterile 0,85% NaCl solution, and seeded with amount of 0.1 ml on appropriate base. In dental plaque trials the amount of cariogenic bacteria was calculated--Streptococcus mutans, Streptococcus, Lactobacillus, Veillonella and Neisseria, and also total amount of aerobic and anaerobic bacteria was measured. Microbiologic studies were performed in Institute of Microbiology, Medical University, Łódź. Statistical analysis of collected data was accomplished. In 72 hours old dental plaques collected from the surfaces of Ketac -Molar, Fuji II LC, Charisma after 10 weeks since being placed into the class V cavity, results show no statistically significant differences in the amount of Streptococcus mutans, Streptococcus spp., Lactobacillus spp., Veillonella spp., Neisseria spp, in total amount of aerobic and anaerobic bacteria and in the quantity proportion of Streptococcus mutans versus Streptococcus spp. in comparison with control trail. Results show no statistically significant differences in the amount of listed above bacteria and in the proportion of Streptococcus mutans versus Streptococcus spp. in 72 hours old dental plaques collected from surfaces of investigated restorative materials.

Optimizing detector geometry for trace element mapping by X-ray fluorescence.

PubMed

Sun, Yue; Gleber, Sophie-Charlotte; Jacobsen, Chris; Kirz, Janos; Vogt, Stefan

2015-05-01

Trace metals play critical roles in a variety of systems, ranging from cells to photovoltaics. X-Ray Fluorescence (XRF) microscopy using X-ray excitation provides one of the highest sensitivities available for imaging the distribution of trace metals at sub-100 nm resolution. With the growing availability and increasing performance of synchrotron light source based instruments and X-ray nanofocusing optics, and with improvements in energy-dispersive XRF detectors, what are the factors that limit trace element detectability? To address this question, we describe an analytical model for the total signal incident on XRF detectors with various geometries, including the spectral response of energy dispersive detectors. This model agrees well with experimentally recorded X-ray fluorescence spectra, and involves much shorter calculation times than with Monte Carlo simulations. With such a model, one can estimate the signal when a trace element is illuminated with an X-ray beam, and when just the surrounding non-fluorescent material is illuminated. From this signal difference, a contrast parameter can be calculated and this can in turn be used to calculate the signal-to-noise ratio (S/N) for detecting a certain elemental concentration. We apply this model to the detection of trace amounts of zinc in biological materials, and to the detection of small quantities of arsenic in semiconductors. We conclude that increased detector collection solid angle is (nearly) always advantageous even when considering the scattered signal. However, given the choice between a smaller detector at 90° to the beam versus a larger detector at 180° (in a backscatter-like geometry), the 90° detector is better for trace element detection in thick samples, while the larger detector in 180° geometry is better suited to trace element detection in thin samples. Copyright © 2015. Published by Elsevier B.V.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Yue; Gleber, Sophie-Charlotte; Jacobsen, Chris

Trace metals play critical roles in a variety of systems, ranging from cells to photovoltaics. X-Ray Fluorescence (XRF) microscopy using X-ray excitation provides one of the highest sensitivities available for imaging the distribution of trace metals at sub-100 nm resolution. With the growing availability and increasing performance of synchrotron light source based instruments and X-ray nanofocusing optics, and with improvements in energy-dispersive XRF detectors, what are the factors that limit trace element detectability? To address this question, we describe an analytical model for the total signal incident on XRF detectors with various geometries, including the spectral response of energy dispersivemore » detectors. This model agrees well with experimentally recorded X-ray fluorescence spectra, and involves much shorter calculation times than with Monte Carlo simulations. With such a model, one can estimate the signal when a trace element is illuminated with an X-ray beam, and when just the surrounding non-fluorescent material is illuminated. From this signal difference, a contrast parameter can be calculated and this can in turn be used to calculate the signal-to-noise ratio (S/N) for detecting a certain elemental concentration. We apply this model to the detection of trace amounts of zinc in biological materials, and to the detection of small quantities of arsenic in semiconductors. We conclude that increased detector collection solid angle is (nearly) always advantageous even when considering the scattered signal. However, given the choice between a smaller detector at 90° to the beam versus a larger detector at 180° (in a backscatter-like geometry), the 90° detector is better for trace element detection in thick samples, while the larger detector in 180° geometry is better suited to trace element detection in thin samples.« less

Optimizing detector geometry for trace element mapping by X-ray fluorescence

PubMed Central

Sun, Yue; Gleber, Sophie-Charlotte; Jacobsen, Chris; Kirz, Janos; Vogt, Stefan

2016-01-01

Trace metals play critical roles in a variety of systems, ranging from cells to photovoltaics. X-Ray Fluorescence (XRF) microscopy using X-ray excitation provides one of the highest sensitivities available for imaging the distribution of trace metals at sub-100 nm resolution. With the growing availability and increasing performance of synchrotron light source based instruments and X-ray nanofocusing optics, and with improvements in energy-dispersive XRF detectors, what are the factors that limit trace element detectability? To address this question, we describe an analytical model for the total signal incident on XRF detectors with various geometries, including the spectral response of energy dispersive detectors. This model agrees well with experimentally recorded X-ray fluorescence spectra, and involves much shorter calculation times than with Monte Carlo simulations. With such a model, one can estimate the signal when a trace element is illuminated with an X-ray beam, and when just the surrounding non-fluorescent material is illuminated. From this signal difference, a contrast parameter can be calculated and this can in turn be used to calculate the signal-to-noise ratio (S/N) for detecting a certain elemental concentration. We apply this model to the detection of trace amounts of zinc in biological materials, and to the detection of small quantities of arsenic in semiconductors. We conclude that increased detector collection solid angle is (nearly) always advantageous even when considering the scattered signal. However, given the choice between a smaller detector at 90° to the beam versus a larger detector at 180° (in a backscatter-like geometry), the 90° detector is better for trace element detection in thick samples, while the larger detector in 180° geometry is better suited to trace element detection in thin samples. PMID:25600825

Optimizing detector geometry for trace element mapping by X-ray fluorescence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Yue; Gleber, Sophie-Charlotte; Jacobsen, Chris

Trace metals play critical roles in a variety of systems, ranging from cells to photovoltaics. X-Ray Fluorescence (XRF) microscopy using X-ray excitation provides one of the highest sensitivities available for imaging the distribution of trace metals at sub-100 nm resolution. With the growing availability and increasing performance of synchrotron light source based instruments and X-ray nanofocusing optics, and with improvements in energy-dispersive XRF detectors, what are the factors that limit trace element detectability? To address this question, we describe an analytical model for the total signal incident on XRF detectors with various geometries, including the spectral response of energy dispersivemore » detectors. This model agrees well with experimentally recorded X-ray fluorescence spectra, and involves much shorter calculation times than with Monte Carlo simulations. With such a model, one can estimate the signal when a trace element is illuminated with an X-ray beam, and when just the surrounding non-fluorescent material is illuminated. From this signal difference, a contrast parameter can be calculated and this can in turn be used to calculate the signal-to-noise ratio (S/N) for detecting a certain elemental concentration. We apply this model to the detection of trace amounts of zinc in biological materials, and to the detection of small quantities of arsenic in semiconductors. We conclude that increased detector collection solid angle is (nearly) always advantageous even when considering the scattered signal. However, given the choice between a smaller detector at 90° to the beam versus a larger detector at 180° (in a backscatter-like geometry), the 90° detector is better for trace element detection in thick samples, while the larger detector in 180° geometry is better suited to trace element detection in thin samples.« less

Wirelessly Interrogated Wear or Temperature Sensors

NASA Technical Reports Server (NTRS)

Woodard, Stanley E.; Taylor, Bryant D.

2010-01-01

Sensors for monitoring surface wear and/or temperature without need for wire connections have been developed. Excitation and interrogation of these sensors are accomplished by means of a magnetic-field-response recorder. In a sensor of the present type as in the previously reported ones, the capacitance and, thus, the resonance frequency, varies as a known function of the quantity of interest that one seeks to determine. Hence, the resonance frequency is measured and used to calculate the quantity of interest.

Application of thermodynamics to silicate crystalline solutions

NASA Technical Reports Server (NTRS)

Saxena, S. K.

1972-01-01

A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.

Miniature high temperature plug-type heat flux gauges

NASA Technical Reports Server (NTRS)

Liebert, Curt H.

1992-01-01

The objective is to describe continuing efforts to develop methods for measuring surface heat flux, gauge active surface temperature, and heat transfer coefficient quantities. The methodology involves inventing a procedure for fabricating improved plug-type heat flux gauges and also for formulating inverse heat conduction models and calculation procedures. These models and procedures are required for making indirect measurements of these quantities from direct temperature measurements at gauge interior locations. Measurements of these quantities were made in a turbine blade thermal cycling tester (TBT) located at MSFC. The TBT partially simulates the turbopump turbine environment in the Space Shuttle Main Engine. After the TBT test, experiments were performed in an arc lamp to analyze gauge quality.

Lunar exploration for resource utilization

NASA Technical Reports Server (NTRS)

Duke, Michael B.

1992-01-01

The strategy for developing resources on the Moon depends on the stage of space industrialization. A case is made for first developing the resources needed to provide simple materials required in large quantities for space operations. Propellants, shielding, and structural materials fall into this category. As the enterprise grows, it will be feasible to develop additional sources - those more difficult to obtain or required in smaller quantities. Thus, the first materials processing on the Moon will probably take the abundant lunar regolith, extract from it major mineral or glass species, and do relatively simple chemical processing. We need to conduct a lunar remote sensing mission to determine the global distribution of features, geophysical properties, and composition of the Moon, information which will serve as the basis for detailed models of and engineering decisions about a lunar mine.

Pollution concentrations in runoff water from refuse piles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guin, J.A.

1977-03-01

In the processes of removal, refinement and disposal of raw materials, large quantities of waste products become exposed to weathering forces. Subsequent percolation, flushing, and oxidation results in the pollution of waterways, low-lying farmlands and underground aquifers with acidity, alkalinity, hardness, heavy metals, and undesirable organic materials such as tannin and lignin. The need for methodology for estimating the chemical nature and quantity of these leachates becomes more compelling as the extraction of natural materials accelerates. In this work a mass transfer model is formulated which describes the leaching of such pollutants from refuse piles. The model is applied tomore » an actual refuse pile under natural precipitation and weathering conditions and found to adequately represent the pollutant concentrations in the rainfall runoff.« less

Transmission eigenchannels from nonequilibrium Green's functions

NASA Astrophysics Data System (ADS)

Paulsson, Magnus; Brandbyge, Mads

2007-09-01

The concept of transmission eigenchannels is described in a tight-binding nonequilibrium Green’s function (NEGF) framework. A simple procedure for calculating the eigenchannels is derived using only the properties of the device subspace and quantities normally available in a NEGF calculation. The method is exemplified by visualization in real space of the eigenchannels for three different molecular and atomic wires.

A Simple Method to Calculate the Temperature Dependence of the Gibbs Energy and Chemical Equilibrium Constants

ERIC Educational Resources Information Center

Vargas, Francisco M.

2014-01-01

The temperature dependence of the Gibbs energy and important quantities such as Henry's law constants, activity coefficients, and chemical equilibrium constants is usually calculated by using the Gibbs-Helmholtz equation. Although, this is a well-known approach and traditionally covered as part of any physical chemistry course, the required…

Non-linear vacuum polarization in strong fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gyulassy, M.

1981-07-01

The Wichmann-Kroll formalism for calculating the vacuum polarization density to first order in ..cap alpha.. but to all orders in Z..cap alpha.. is derived. The most essential quantity is shown to be the electrons Green's function in these calculations. The method of constructing that Green's function in the field of finite radius nuclei is then presented.

Energetics of Meloidogyne incognita on Resistant and Susceptible Alyceclover Genotypes

PubMed Central

Powers, L. E.; McSorley, R.

1993-01-01

To determine the energy cost of a population of Meloidogyne incognita on the roots of alyceclover, nematode biomass was estimated and equations in the literature were used to calculate energy budgets. Amounts of energy consumed, respired, or used in production of nematode biomass were calculated. Results suggested that severe infestations of root-knot nematodes can remove significant quantities of energy from their hosts. Over a 36-day period, a population of 2.6 females of M. incognita per root system removed less than 0.4 calories of energy from a resistant alyceclover plant but over 11 calories were removed by 28 females from a susceptible alyceclover. The calculations indicate that on the resistant alyceclover line, 53% of the energy assimilated by the root-knot population was allocated to respiration, with only 47% allocated to production, whereas on the susceptible line, 65% of the assimilated energy was allocated to production. Such energy demands by the parasite could result in significant reductions in yield quantity and quality at a field production level. PMID:19279766

The Application of materials attractiveness in a graded approach to nuclear materials security

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ebbinghaus, B.; Bathke, C.; Dalton, D.

2013-07-01

The threat from terrorist groups has recently received greater attention. In this paper, material quantity and material attractiveness are addressed through the lens of a minimum security strategy needed to prevent the construction of a nuclear explosive device (NED) by an adversary. Nuclear materials are placed into specific security categories (3 or 4 categories) , which define a number of security requirements to protect the material. Materials attractiveness can be divided into four attractiveness levels, High, Medium, Low, and Very Low that correspond to the utility of the material to the adversary and to a minimum security strategy that ismore » necessary to adequately protect the nuclear material. We propose a graded approach to materials attractiveness that recognizes for instance substantial differences in attractiveness between pure reactor-grade Pu oxide (High attractiveness) and fresh MOX fuel (Low attractiveness). In either case, an adversary's acquisition of a Category I quantity of plutonium would be a major incident, but the acquisition of Pu oxide by the adversary would be substantially worse than the acquisition of fresh MOX fuel because of the substantial differences in the time and complexity required of the adversary to process the material and fashion it into a NED.« less

Discovery of Newer Therapeutic Leads for Prostate Cancer

DTIC Science & Technology

2009-06-01

promising plant extracts and then prepare large-scale quantities of the plant extracts using supercritical fluid extraction techniques and use this...quantities of the plant extracts using supercritical fluid extraction techniques. Large scale plant collections were conducted for 14 of the top 20...material for bioassay-guided fractionation of the biologically active constituents using modern chromatography techniques. The chemical structures of

46 CFR 153.481 - Stripping quantities and interim standards for Category B NLS tanks on ships built before July 1...

Code of Federal Regulations, 2011 CFR

2011-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.481 Stripping quantities and interim standards for Category B NLS tanks on... paragraph (b)(1) of this section and does not automatically control the flow rate must have— (i) Manual...

46 CFR 153.481 - Stripping quantities and interim standards for Category B NLS tanks on ships built before July 1...

Code of Federal Regulations, 2012 CFR

2012-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.481 Stripping quantities and interim standards for Category B NLS tanks on... paragraph (b)(1) of this section and does not automatically control the flow rate must have— (i) Manual...

46 CFR 153.481 - Stripping quantities and interim standards for Category B NLS tanks on ships built before July 1...

Code of Federal Regulations, 2010 CFR

2010-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.481 Stripping quantities and interim standards for Category B NLS tanks on... paragraph (b)(1) of this section and does not automatically control the flow rate must have— (i) Manual...

46 CFR 153.481 - Stripping quantities and interim standards for Category B NLS tanks on ships built before July 1...

Code of Federal Regulations, 2014 CFR

2014-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.481 Stripping quantities and interim standards for Category B NLS tanks on... paragraph (b)(1) of this section and does not automatically control the flow rate must have— (i) Manual...

46 CFR 153.481 - Stripping quantities and interim standards for Category B NLS tanks on ships built before July 1...

Code of Federal Regulations, 2013 CFR

2013-10-01

... LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment Design and Equipment for Pollution Control § 153.481 Stripping quantities and interim standards for Category B NLS tanks on... paragraph (b)(1) of this section and does not automatically control the flow rate must have— (i) Manual...

Evaluation and comparison of quantity and pattern of fluoride release from orthodontic adhesives: an in vitro study.

PubMed

Regalla, Ravindra Reddy; Jadav, Chandulal; Babu, Devatha Ashok; Sriram, Roopa Rani S; Sriram, Sanjay Krishna; Kattimani, Vivekanand S

2014-01-01

Orthodontic treatment has gained popularity since beginning of era of dentistry. Now a day, everyone is conscious about their appearance, smile and function. During orthodontic treatment use of brackets and adhesives are common. The bonding of brackets will cause demineralization which requires the fluoridation. So the study has been under- taken to analyze the pattern of fluoride release by commercially available adhesive bonding material for the prevention of demineralization. To evaluate and compare the clinical significance of quantity and pattern of fluoride release from three commercially available adhesives. To assess the pattern of fluoride release and quantity, to reduce the decalcification of enamel around orthodontic brackets and bands during treatment and to prevent further use of topical fluoride both office and self-use agents for prevention of demineralization/for remineralization. The comparison of quantity and pattern of fluoride release study involved commercially available bonding adhesives. They are: Group I--resin reinforced glass Ionomer light cure material (OrthoLC), Group II--fluoride releasing composite resin material (Excel) and Group III--conventional composite (Relay-a-bond) evaluated on 78 freshly extracted premolar teeth divided into three groups consisting 26 specimens in each group. The prepared specimens were stored in artificial saliva at 37°C in an incubator for subsequent fluoride analysis using ORION ion selective electrode coupled with ionalyzer 901. Fluoride analysis made at 24 hours intervals for first 3 consecutive days and thereafter at the end of 10th, 17th, 24th and 31st day of bonding. The data obtained were tabulated and interpreted by statistical analysis using 't' test and one-way analysis of variance (ANOVA). The quantity of fluoride release in groups I and II was significant even at the end of 31st day. The one-way AVOVA showed intra and inter group significance in the quantity of fluoride release. But group III with zero fluoride release with significant decalcification on enamel which requires external use of topical fluorides. The pattern of fluoride released was 3.06 ppm for group I and 2.01 ppm for group II and was declined sharply after 24 hours; and continued to decline in subsequent weeks. Mean quantity of fluoride release by group I was 15.08 ppm were as group II was 9.02 ppm over the test period of 31 days. At the end of 31st day the group I bonding adhesive was releasing considerable amount of fluoride compared to group II whereas group III was nil. At all the periods inter and intra group mean values were highly significant. And group III acted as base line or control group as it was non-fluoride releasing material. Both the fluoride releasing adhesive bond material are useful to reduce the risk of demineralization and further prevent the usage of topical fluoride application and reduce cost and clinical visiting time for both patient and clinician.

Protein deposition on a lathe-cut silicone hydrogel contact lens material.

PubMed

Subbaraman, Lakshman N; Woods, Jill; Teichroeb, Jonathan H; Jones, Lyndon

2009-03-01

To determine the quantity of total protein, total lysozyme, and the conformational state of lysozyme deposited on a novel, lathe-cut silicone hydrogel (SiHy) contact lens material (sifilcon A) after 3 months of wear. Twenty-four subjects completed a prospective, bilateral, daily-wear, 9-month clinical evaluation in which the subjects were fitted with a novel, custom-made, lathe-cut SiHy lens material. The lenses were worn for three consecutive 3-month periods, with lenses being replaced after each period of wear. After 3 months of wear, the lenses from the left eye were collected and assessed for protein analysis. The total protein deposited on the lenses was determined by a modified Bradford assay, total lysozyme using Western blotting and the lysozyme activity was determined using a modified micrococcal assay. The total protein recovered from the custom-made lenses was 5.3 +/- 2.3 microg/lens and the total lysozyme was 2.4 +/- 1.2 microg/lens. The denatured lysozyme found on the lenses was 1.9 +/- 1.0 microg/lens and the percentage of lysozyme denatured was 80 +/- 10%. Even after 3 months of wear, the quantity of protein and the conformational state of lysozyme deposited on these novel lens materials was very similar to that found on similar surface-coated SiHy lenses after 2 to 4 weeks of wear. These results indicate that extended use of the sifilcon A material is not deleterious in terms of the quantity and quality of protein deposited on the lens.

Ab initio investigation of the structural and electronic properties of the MgFBrxCl1-x quaternary alloy

NASA Astrophysics Data System (ADS)

Mokhtari, Ali; Alidoosti, Mohammad

2014-11-01

In the present work, we have performed first principles calculations to study the structural and electronic properties of the MgFBrxCl1-x quaternary alloys using the pseudo-potential plane wave approach within the framework of density functional theory. By using the optimized initial parameters, we have obtained the physical quantities such as equilibrium lattice constants a and c, cohesive energy and band gap and then fitted the results by a quadratic expression for all x compositions. The results of bulk modulus exhibit nearly linear concentration dependence (LCD) but other quantities show nonlinear dependence. Finally, we have calculated the total and angular momentum decomposed (partial) density of states and determined the contributions of different orbitals of each atoms.

Down woody materials as an indicator of wildlife habitat, fuels, and carbon stocks of the United States

Treesearch

Christopher W. Woodall

2007-01-01

Why Are Down Woody Materials Important? The down woody materials (DWM) indicator is used to estimate the quantity of deadorganic material (resulting from plant mortality and leaf turnover) in forest ecosystems of the United States. The DWM indicator, coupled with other components of the enhanced Forest Inventory and Analysis (FIA) program, can indicate the...

10 CFR 73.6 - Exemptions for certain quantities and kinds of special nuclear material.

Code of Federal Regulations, 2013 CFR

2013-01-01

... nuclear material. 73.6 Section 73.6 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION... special nuclear material. A licensee is exempt from the requirements of 10 CFR part 26 and §§ 73.20, 73.25, 73.26, 73.27, 73.45, 73.46, 73.70 and 73.72 with respect to the following special nuclear material...

10 CFR 73.6 - Exemptions for certain quantities and kinds of special nuclear material.

Code of Federal Regulations, 2014 CFR

2014-01-01

... nuclear material. 73.6 Section 73.6 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION... special nuclear material. A licensee is exempt from the requirements of 10 CFR part 26 and §§ 73.20, 73.25, 73.26, 73.27, 73.45, 73.46, 73.70 and 73.72 with respect to the following special nuclear material...

10 CFR 73.6 - Exemptions for certain quantities and kinds of special nuclear material.

Code of Federal Regulations, 2010 CFR

2010-01-01

... nuclear material. 73.6 Section 73.6 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION... special nuclear material. A licensee is exempt from the requirements of 10 CFR part 26 and §§ 73.20, 73.25, 73.26, 73.27, 73.45, 73.46, 73.70 and 73.72 with respect to the following special nuclear material...

10 CFR 73.6 - Exemptions for certain quantities and kinds of special nuclear material.

Code of Federal Regulations, 2012 CFR

2012-01-01

... nuclear material. 73.6 Section 73.6 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION... special nuclear material. A licensee is exempt from the requirements of 10 CFR part 26 and §§ 73.20, 73.25, 73.26, 73.27, 73.45, 73.46, 73.70 and 73.72 with respect to the following special nuclear material...

10 CFR 73.6 - Exemptions for certain quantities and kinds of special nuclear material.

Code of Federal Regulations, 2011 CFR

2011-01-01

... nuclear material. 73.6 Section 73.6 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION... special nuclear material. A licensee is exempt from the requirements of 10 CFR part 26 and §§ 73.20, 73.25, 73.26, 73.27, 73.45, 73.46, 73.70 and 73.72 with respect to the following special nuclear material...

Relative risk analysis of several manufactured nanomaterials: an insurance industry context.

PubMed

Robichaud, Christine Ogilvie; Tanzil, Dicksen; Weilenmann, Ulrich; Wiesner, Mark R

2005-11-15

A relative risk assessment is presented for the industrial fabrication of several nanomaterials. The production processes for five nanomaterials were selected for this analysis, based on their current or near-term potential for large-scale production and commercialization: single-walled carbon nanotubes, bucky balls (C60), one variety of quantum dots, alumoxane nanoparticles, and nano-titanium dioxide. The assessment focused on the activities surrounding the fabrication of nanomaterials, exclusive of any impacts or risks with the nanomaterials themselves. A representative synthesis method was selected for each nanomaterial based on its potential for scaleup. A list of input materials, output materials, and waste streams for each step of fabrication was developed and entered into a database that included key process characteristics such as temperature and pressure. The physical-chemical properties and quantities of the inventoried materials were used to assess relative risk based on factors such as volatility, carcinogenicity, flammability, toxicity, and persistence. These factors were first used to qualitatively rank risk, then combined using an actuarial protocol developed by the insurance industry for the purpose of calculating insurance premiums for chemical manufacturers. This protocol ranks three categories of risk relative to a 100 point scale (where 100 represents maximum risk): incident risk, normal operations risk, and latent contamination risk. Results from this analysis determined that relative environmental risk from manufacturing each of these five materials was comparatively low in relation to other common industrial manufacturing processes.

Detection of special nuclear materials with the associate particle technique

NASA Astrophysics Data System (ADS)

Carasco, Cédric; Deyglun, Clément; Pérot, Bertrand; Eléon, Cyrille; Normand, Stéphane; Sannié, Guillaume; Boudergui, Karim; Corre, Gwenolé; Konzdrasovs, Vladimir; Pras, Philippe

2013-04-01

In the frame of the French trans-governmental R&D program against chemical, biological, radiological, nuclear and explosives (CBRN-E) threats, CEA is studying the detection of Special Nuclear Materials (SNM) by neutron interrogation with fast neutrons produced by an associated particle sealed tube neutron generator. The deuterium-tritium fusion reaction produces an alpha particle and a 14 MeV neutron almost back to back, allowing tagging neutron emission both in time and direction with an alpha particle position-sensitive sensor embedded in the generator. Fission prompt neutrons and gamma rays induced by tagged neutrons which are tagged by an alpha particle are detected in coincidence with plastic scintillators. This paper presents numerical simulations performed with the MCNP-PoliMi Monte Carlo computer code and with post processing software developed with the ROOT data analysis package. False coincidences due to neutron and photon scattering between adjacent detectors (cross talk) are filtered out to increase the selectivity between nuclear and benign materials. Accidental coincidences, which are not correlated to an alpha particle, are also taken into account in the numerical model, as well as counting statistics, and the time-energy resolution of the data acquisition system. Such realistic calculations show that relevant quantities of SNM (few kg) can be distinguished from cargo and shielding materials in 10 min acquisitions. First laboratory tests of the system under development in CEA laboratories are also presented.

Production Planning and Simulation for Reverse Supply Chain

NASA Astrophysics Data System (ADS)

Murayama, Takeshi; Yoda, Mitsunobu; Eguchi, Toru; Oba, Fuminori

This paper describes a production planning method for a reverse supply chain, in which a disassembly company takes reusable components from returned used products and supplies the reusable components for a product manufacturer. This method addresses the issue that the timings and quantities of returned products and reusable components obtained from them are unknown. This method first predicts the quantities of returned products and reusable components at each time period by using reliability models. Using the prediction result, the method performs production planning based on Material Requirements Planning (MRP). This method enables us to plan at each time period: the quantity of the products to be disassembled; the quantity of the reusable components to be used; and the quantity of the new components to be produced. The flow of the components and products through a forward and reverse supply chain is simulated to show the effectiveness of the method.

Air pollution effect of SO2 and/or aliphatic hydrocarbons on marble statues in Archaeological Museums.

PubMed

Agelakopoulou, T; Metaxa, E; Karagianni, Ch-S; Roubani-Kalantzopoulou, F

2009-09-30

This study allowed the identification of the main physicochemical characteristics of deterioration of the materials used in the construction of Greek ancient statues in order to plan a correct methodology of restoration. The method of Reversed-Flow Inverse Gas Chromatography is appropriate to investigate the influence of air pollutants on authentic pieces from the Greek Archaeological Museum of Kavala, near Salonica. Six local physicochemical quantities which refer to the influence of one or two pollutants (synergistic effect) were determined for each system. These quantities answer the question "when, why and how materials of cultural heritage are attacked".

75 FR 47494 - Implementation Guidance for Physical Protection of Byproduct Material; Category 1 and Category 2...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-06

... for Physical Protection of Byproduct Material; Category 1 and Category 2 Quantities of Radioactive... on the draft implementation guidance for proposed 10 CFR part 37 Physical Protection of Byproduct... proposed 10 CFR part 37, Physical Protection of Byproduct Material, specifically Category 1 and Category 2...

An extended version of the SERPENT-2 code to investigate fuel burn-up and core material evolution of the Molten Salt Fast Reactor

NASA Astrophysics Data System (ADS)

Aufiero, M.; Cammi, A.; Fiorina, C.; Leppänen, J.; Luzzi, L.; Ricotti, M. E.

2013-10-01

In this work, the Monte Carlo burn-up code SERPENT-2 has been extended and employed to study the material isotopic evolution of the Molten Salt Fast Reactor (MSFR). This promising GEN-IV nuclear reactor concept features peculiar characteristics such as the on-line fuel reprocessing, which prevents the use of commonly available burn-up codes. Besides, the presence of circulating nuclear fuel and radioactive streams from the core to the reprocessing plant requires a precise knowledge of the fuel isotopic composition during the plant operation. The developed extension of SERPENT-2 directly takes into account the effects of on-line fuel reprocessing on burn-up calculations and features a reactivity control algorithm. It is here assessed against a dedicated version of the deterministic ERANOS-based EQL3D procedure (PSI-Switzerland) and adopted to analyze the MSFR fuel salt isotopic evolution. Particular attention is devoted to study the effects of reprocessing time constants and efficiencies on the conversion ratio and the molar concentration of elements relevant for solubility issues (e.g., trivalent actinides and lanthanides). Quantities of interest for fuel handling and safety issues are investigated, including decay heat and activities of hazardous isotopes (neutron and high energy gamma emitters) in the core and in the reprocessing stream. The radiotoxicity generation is also analyzed for the MSFR nominal conditions. The production of helium and the depletion in tungsten content due to nuclear reactions are calculated for the nickel-based alloy selected as reactor structural material of the MSFR. These preliminary evaluations can be helpful in studying the radiation damage of both the primary salt container and the axial reflectors.

Numerical simulation and comparison of nonlinear self-focusing based on iteration and ray tracing

NASA Astrophysics Data System (ADS)

Li, Xiaotong; Chen, Hao; Wang, Weiwei; Ruan, Wangchao; Zhang, Luwei; Cen, Zhaofeng

2017-05-01

Self-focusing is observed in nonlinear materials owing to the interaction between laser and matter when laser beam propagates. Some of numerical simulation strategies such as the beam propagation method (BPM) based on nonlinear Schrödinger equation and ray tracing method based on Fermat's principle have applied to simulate the self-focusing process. In this paper we present an iteration nonlinear ray tracing method in that the nonlinear material is also cut into massive slices just like the existing approaches, but instead of paraxial approximation and split-step Fourier transform, a large quantity of sampled real rays are traced step by step through the system with changing refractive index and laser intensity by iteration. In this process a smooth treatment is employed to generate a laser density distribution at each slice to decrease the error caused by the under-sampling. The characteristics of this method is that the nonlinear refractive indices of the points on current slice are calculated by iteration so as to solve the problem of unknown parameters in the material caused by the causal relationship between laser intensity and nonlinear refractive index. Compared with the beam propagation method, this algorithm is more suitable for engineering application with lower time complexity, and has the calculation capacity for numerical simulation of self-focusing process in the systems including both of linear and nonlinear optical media. If the sampled rays are traced with their complex amplitudes and light paths or phases, it will be possible to simulate the superposition effects of different beam. At the end of the paper, the advantages and disadvantages of this algorithm are discussed.

Management of Water Quantity and Quality Based on Copula for a Tributary to Miyun Reservoir, Beijing

NASA Astrophysics Data System (ADS)

Zang, N.; Wang, X.; Liang, P.

2017-12-01

Due to the complex mutual influence between water quantity and water quality of river, it is difficult to reflect the actual characters of the tributaries to reservoir. In this study, the acceptable marginal probability distributions for water quantity and quality of reservoir inflow were calculated. A bivariate Archimedean copula was further applied to establish the joint distribution function of them. Then multiple combination scenarios of water quantity and water quality were designed to analyze their coexistence relationship and reservoir management strategies. Taking Bai river, an important tributary into the Miyun Reservoir, as a study case. The results showed that it is feasible to apply Frank copula function to describe the jointed distribution function of water quality and water quantity for Bai river. Furthermore, the monitoring of TP concentration needs to be strengthen in Bai river. This methodology can be extended to larger dimensions and is transferable to other reservoirs via establishment of models with relevant data for a particular area. Our findings help better analyzing the coexistence relationship and influence degree of the water quantity and quality of the tributary to reservoir for the purpose of water resources protection.

A Note on the Teaching of Arc Elasticity.

ERIC Educational Resources Information Center

Seldon, James R.

1986-01-01

Maintains that the Aba P. Lerner alternative for calculating arc elasticity is superior to the commonly used mean prices and quantities method typically used in intermediate microeconomics courses. (JDH)

Certification of Plutonium Standards for KAMS Neutron Multiplicity Counter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salaymeh, S.R.

2002-05-31

As part of the implementation of the PEIS record of decision in January of 1997, DOE will pursue two technologies to disposition fifty metric tons of its stockpile of plutonium. As a result of this and in order to expedite the closure of Rocky Flats Environmental Technology Site in Colorado, DOE decided to use existing facilities at the Savannah River Site (SRS) for storing all material containing plutonium at KAMS. A neutron multiplicity counter was designed and built to carry out receipt verification measurement at the facility. Since the material covers a wide range and different levels of impurities, itmore » is essential that we obtain a set of working standards. An agreement was drafted to select the first drums to be these standards. A plan was developed for the certification of these standards using Rocky Flat's existing nondestructive assay equipment. This paper will discuss the types of materials to be shipped to SRS, number of standards to certify for each type of material, and the certification plan. It will also discuss the activities necessary to determine the nuclear content of these working standards to be used at SRS facilities in support of shipment and receipt of the Pu containing materials. Definition of instrument qualifications, measurement control processes, measurement methodologies, and calculations necessary to report the gram quantities and their uncertainties for plutonium, americium-241, uranium-235 (if present) and neptunium-237 (if present) will also be presented.« less

Variation in Prescription Drug Coverage for Triptans: Analysis of Insurance Formularies.

PubMed

Minen, Mia T; Lindberg, Kate; Langford, Aisha; Loder, Elizabeth

2017-09-01

To analyze triptan coverage by insurers to examine (1) possible disparities in coverage for different formulations (oral, intranasal, etc) and (2) quantity limits and stepped care requirements to obtain triptans. Triptans are FDA approved migraine abortive medications. Patients frequently state that they have difficulty accessing triptans prescribed to them. We searched the 2015 drug formularies of commercial and government health insurers providing coverage in NY State. We created a spreadsheet with all of the commercially available triptans and included information about covered formulations, tier numbers and quantity limits for each drug. We then calculated the number of listed plans that cover or do not cover each triptan or triptan formulation, the total number of medications not covered by an insurance provided across all of its plans, as well as the percentage of plans offered by individual companies and across all companies that covered each drug. We also calculated the number and proportion of plans that imposed quantity limits or step therapy for each drug. Of the 100 formularies searched, generic sumatriptan (all formulations), naratriptan, and zolmitriptan tablets were covered by all plans, and rizatriptan tablets and ODTs were covered by 98% of plans. Brand triptans were less likely to be covered: 4/36 Medicaid plans covered brand triptans. Commercial insurers were more likely to cover brand triptans. All plans imposed quantity limits on 1+ triptan formulations, with >80% imposing quantity limits on 14/19 formulations studied. Almost all plans used tiers for cost allocation for different medications. Generic triptans were almost always in Tier 1. Brand triptans were most commonly in Tier 3. Approximately 40% of brand triptans required step therapy, compared with 11% of generic triptans. There are substantial variations in coverage and quantity limits and a high degree of complexity in triptan coverage for both government and commercial plans. © 2017 American Headache Society.

A passive microwave technique for estimating rainfall and vertical structure information from space. Part 1: Algorithm description

NASA Technical Reports Server (NTRS)

Kummerow, Christian; Giglio, Louis

1994-01-01

This paper describes a multichannel physical approach for retrieving rainfall and vertical structure information from satellite-based passive microwave observations. The algorithm makes use of statistical inversion techniques based upon theoretically calculated relations between rainfall rates and brightness temperatures. Potential errors introduced into the theoretical calculations by the unknown vertical distribution of hydrometeors are overcome by explicity accounting for diverse hydrometeor profiles. This is accomplished by allowing for a number of different vertical distributions in the theoretical brightness temperature calculations and requiring consistency between the observed and calculated brightness temperatures. This paper will focus primarily on the theoretical aspects of the retrieval algorithm, which includes a procedure used to account for inhomogeneities of the rainfall within the satellite field of view as well as a detailed description of the algorithm as it is applied over both ocean and land surfaces. The residual error between observed and calculated brightness temperatures is found to be an important quantity in assessing the uniqueness of the solution. It is further found that the residual error is a meaningful quantity that can be used to derive expected accuracies from this retrieval technique. Examples comparing the retrieved results as well as the detailed analysis of the algorithm performance under various circumstances are the subject of a companion paper.

Thermodynamic properties by Equation of state of liquid sodium under pressure

NASA Astrophysics Data System (ADS)

Li, Huaming; Sun, Yongli; Zhang, Xiaoxiao; Li, Mo

Isothermal bulk modulus, molar volume and speed of sound of molten sodium are calculated through an equation of state of a power law form within good precision as compared with the experimental data. The calculated internal energy data show the minimum along the isothermal lines as the previous result but with slightly larger values. The calculated values of isobaric heat capacity show the unexpected minimum in the isothermal compression. The temperature and pressure derivative of various thermodynamic quantities in liquid Sodium are derived. It is discussed about the contribution from entropy to the temperature and pressure derivative of isothermal bulk modulus. The expressions for acoustical parameter and nonlinearity parameter are obtained based on thermodynamic relations from the equation of state. Both parameters for liquid Sodium are calculated under high pressure along the isothermal lines by using the available thermodynamic data and numeric derivations. By comparison with the results from experimental measurements and quasi-thermodynamic theory, the calculated values are found to be very close at melting point at ambient condition. Furthermore, several other thermodynamic quantities are also presented. Scientific Research Starting Foundation from Taiyuan university of Technology, Shanxi Provincial government (``100-talents program''), China Scholarship Council and National Natural Science Foundation of China (NSFC) under Grant No. 11204200.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Chen, E-mail: chuang3@fsu.edu

A key element in the density functional embedding theory (DFET) is the embedding potential. We discuss two major issues related to the embedding potential: (1) its non-uniqueness and (2) the numerical difficulty for solving for it, especially for the spin-polarized systems. To resolve the first issue, we extend DFET to finite temperature: all quantities, such as the subsystem densities and the total system’s density, are calculated at a finite temperature. This is a physical extension since materials work at finite temperatures. We show that the embedding potential is strictly unique at T > 0. To resolve the second issue, wemore » introduce an efficient iterative embedding potential solver. We discuss how to relax the magnetic moments in subsystems and how to equilibrate the chemical potentials across subsystems. The solver is robust and efficient for several non-trivial examples, in all of which good quality spin-polarized embedding potentials were obtained. We also demonstrate the solver on an extended periodic system: iron body-centered cubic (110) surface, which is related to the modeling of the heterogeneous catalysis involving iron, such as the Fischer-Tropsch and the Haber processes. This work would make it efficient and accurate to perform embedding simulations of some challenging material problems, such as the heterogeneous catalysis and the defects of complicated spin configurations in electronic materials.« less

10 CFR 32.14 - Certain items containing byproduct material; requirements for license to apply or initially...

Code of Federal Regulations, 2010 CFR

2010-01-01

... maximum quantity of byproduct material in each product; (2) Details of construction and design of each... experimental studies and tests, required by the Commission to facilitate a determination of the safety of the...

Budget of Turbulent Kinetic Energy in a Shock Wave Boundary-Layer Interaction

NASA Technical Reports Server (NTRS)

Vyas, Manan; Waindim, Mbu; Gaitonde, Datta

2016-01-01

Implicit large-eddy simulation (ILES) of a shock wave boundary-layer interaction (SBLI) was performed. Quantities present in the exact equation of the turbulent kinetic energy (TKE) transport were accumulated. These quantities will be used to calculate the components of TKE-like production, dissipation, transport, and dilatation. Correlations of these terms will be presented to study the growth and interaction between various terms. A comparison with its RANS (Reynolds-Averaged Navier-Stokes) counterpart will also be presented.

First-principles study of complex material systems

NASA Astrophysics Data System (ADS)

He, Lixin

This thesis covers several topics concerning the study of complex materials systems by first-principles methods. It contains four chapters. A brief, introductory motivation of this work will be given in Chapter 1. In Chapter 2, I will give a short overview of the first-principles methods, including density-functional theory (DFT), planewave pseudopotential methods, and the Berry-phase theory of polarization in crystallines insulators. I then discuss in detail the locality and exponential decay properties of Wannier functions and of related quantities such as the density matrix, and their application in linear-scaling algorithms. In Chapter 3, I investigate the interaction of oxygen vacancies and 180° domain walls in tetragonal PbTiO3 using first-principles methods. Our calculations indicate that the oxygen vacancies have a lower formation energy in the domain wall than in the bulk, thereby confirming the tendency of these defects to migrate to, and pin, the domain walls. The pinning energies are reported for each of the three possible orientations of the original Ti--O--Ti bonds, and attempts to model the results with simple continuum models are discussed. CaCu3Ti4O12 (CCTO) has attracted a lot of attention recently because it was found to have an enormous dielectric response over a very wide temperature range. In Chapter 4, I study the electronic and lattice structure, and the lattice dynamical properties, of this system. Our first-principles calculations together with experimental results point towards an extrinsic mechanism as the origin of the unusual dielectric response.

Emergency management logistics must become emergency supply chain management.

PubMed

Young, Richard R; Peterson, Matthew R

2014-01-01

Much has been written about how emergency management (EM) needs to look to the future regarding issues of resource management (monetary, human, and material). Constraints on budgets are ongoing and the staffing of emergency response activities is often difficult because volunteers have little to no training. The management of material resources has also been a challenge because 1) the categories of material vary by the type of emergency, 2) the necessary quantities of material are often not located near the ultimate point of need, and 3) the transportation assets are rarely available in the form and quantity required to allow timely and effective response. The logistics and resource management functions of EM (what we refer to as EM logistics) have been largely reactive, with little to no pre-event planning for potential demand. We applied the Supply Chain Operational Reference (SCOR) model to EM logistics in an effort to transform it to an integrated and scalable system of physical, information, and financial flows into which are woven the functions of sourcing, making, delivering, and returning, with an overarching planning function that transcends the organizational boundaries of participants. The result is emergency supply chain management, which embraces many more participants who share in a larger quantity of more useful information about the resources that need to be deployed when responding to and recovering from emergency events.

48 CFR 48.001 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-10-01

.... Contracting office includes any contracting office that the acquisition is transferred to, such as another... projected learning or changes in quantity during the sharing period. It is calculated at the time the VECP...

Strong Helioseismic Constraints on Weakly-Coupled Plasmas

NASA Astrophysics Data System (ADS)

Nayfonov, Alan

The extraordinary accuracy of helioseismic data allows detailed theoretical studies of solar plasmas. The necessity to produce solar models matching the experimental results in accuracy imposes strong constrains on the equations of state of solar plasmas. Several discrepancies between the experimental data and models have been successfully identified as the signatures of various non-ideal phenomena. Of a particular interest are questions of the position of the energy levels and the continuum edge and of the effect of the excited states in the solar plasma. Calculations of energy level and continuum shifts, based on the Green function formalism, appeared recently in the literature. These results have been used to examine effects of the shifts on the thermodynamic quantities. A comparison with helioseismic data has shown that the calculations based on lower-level approximations, such as the static screening in the effective two-particle wave equation, agree very well with the experimental data. However, the case of full dynamic screening produces thermodynamic quantities inconsistent with observations. The study of the effect of different internal partition functions on a complete set of thermodynamic quantities has revealed the signature of the excited states in the MHD (Mihalas, Hummer, Dappen) equation of state. The presence of exited states causes a characteristic 'wiggle' in the thermodynamic quantities due to the density-dependent occupation probabilities. This effect is absent if the ACTEX (ACTivity EXpansion) equation of state is used. The wiggle has been found to be most prominent in the quantities sensitive to density. The size of this excited states effect is well within the observational power of helioseismology, and very recent inversion analyses of helioseismic data seem to indicate the presence of the wiggle in the sun. This has a potential importance for the helioseismic determination of the helium abundance of the sun.

iMAST Quarterly, Number 3, 2000

DTIC Science & Technology

2000-01-01

components which depend on evaporating unit capabilities. There are three components (EB-gun, water cooled copper crucible and vacuum chamber) in the EB-PVD...Ion Implantation and Ion Plating electromagnetic deflected through 180 or 2700. Similarly, evaporant material is placed in a water-cooled copper ... crucible , which could be either pocket type for small quantity evaporation application or continuous ingot feeding through the crucible for larger quantity

LLNL Mercury Project Trinity Open Science Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dawson, Shawn A.

The Mercury Monte Carlo particle transport code is used to simulate the transport of radiation through urban environments. These challenging calculations include complicated geometries and require significant computational resources to complete. In the proposed Trinity Open Science calculations, I will investigate computer science aspects of the code which are relevant to convergence of the simulation quantities with increasing Monte Carlo particle counts.

A comparative study of space radiation organ doses and associated cancer risks using PHITS and HZETRN.

PubMed

Bahadori, Amir A; Sato, Tatsuhiko; Slaba, Tony C; Shavers, Mark R; Semones, Edward J; Van Baalen, Mary; Bolch, Wesley E

2013-10-21

NASA currently uses one-dimensional deterministic transport to generate values of the organ dose equivalent needed to calculate stochastic radiation risk following crew space exposures. In this study, organ absorbed doses and dose equivalents are calculated for 50th percentile male and female astronaut phantoms using both the NASA High Charge and Energy Transport Code to perform one-dimensional deterministic transport and the Particle and Heavy Ion Transport Code System to perform three-dimensional Monte Carlo transport. Two measures of radiation risk, effective dose and risk of exposure-induced death (REID) are calculated using the organ dose equivalents resulting from the two methods of radiation transport. For the space radiation environments and simplified shielding configurations considered, small differences (<8%) in the effective dose and REID are found. However, for the galactic cosmic ray (GCR) boundary condition, compensating errors are observed, indicating that comparisons between the integral measurements of complex radiation environments and code calculations can be misleading. Code-to-code benchmarks allow for the comparison of differential quantities, such as secondary particle differential fluence, to provide insight into differences observed in integral quantities for particular components of the GCR spectrum.

A comparative study of space radiation organ doses and associated cancer risks using PHITS and HZETRN

NASA Astrophysics Data System (ADS)

Bahadori, Amir A.; Sato, Tatsuhiko; Slaba, Tony C.; Shavers, Mark R.; Semones, Edward J.; Van Baalen, Mary; Bolch, Wesley E.

2013-10-01

NASA currently uses one-dimensional deterministic transport to generate values of the organ dose equivalent needed to calculate stochastic radiation risk following crew space exposures. In this study, organ absorbed doses and dose equivalents are calculated for 50th percentile male and female astronaut phantoms using both the NASA High Charge and Energy Transport Code to perform one-dimensional deterministic transport and the Particle and Heavy Ion Transport Code System to perform three-dimensional Monte Carlo transport. Two measures of radiation risk, effective dose and risk of exposure-induced death (REID) are calculated using the organ dose equivalents resulting from the two methods of radiation transport. For the space radiation environments and simplified shielding configurations considered, small differences (<8%) in the effective dose and REID are found. However, for the galactic cosmic ray (GCR) boundary condition, compensating errors are observed, indicating that comparisons between the integral measurements of complex radiation environments and code calculations can be misleading. Code-to-code benchmarks allow for the comparison of differential quantities, such as secondary particle differential fluence, to provide insight into differences observed in integral quantities for particular components of the GCR spectrum.

A FORTRAN program for calculating three dimensional, inviscid and rotational flows with shock waves in axial compressor blade rows: User's manual

NASA Technical Reports Server (NTRS)

Thompkins, W. T., Jr.

1982-01-01

A FORTRAN-IV computer program was developed for the calculation of the inviscid transonic/supersonic flow field in a fully three dimensional blade passage of an axial compressor rotor or stator. Rotors may have dampers (part span shrouds). MacCormack's explicit time marching method is used to solve the unsteady Euler equations on a finite difference mesh. This technique captures shocks and smears them over several grid points. Input quantities are blade row geometry, operating conditions and thermodynamic quanities. Output quantities are three velocity components, density and internal energy at each mesh point. Other flow quanities are calculated from these variables. A short graphics package is included with the code, and may be used to display the finite difference grid, blade geometry and static pressure contour plots on blade to blade calculation surfaces or blade suction and pressure surfaces. The flow in a low aspect ratio transonic compressor was analyzed and compared with high response total pressure probe measurements and gas fluorescence static density measurements made in the MIT blowdown wind tunnel. These comparisons show that the computed flow fields accurately model the measured shock wave locations and overall aerodynamic performance.

Uncertainty Calculations in the First Introductory Physics Laboratory

NASA Astrophysics Data System (ADS)

Rahman, Shafiqur

2005-03-01

Uncertainty in a measured quantity is an integral part of reporting any experimental data. Consequently, Introductory Physics laboratories at many institutions require that students report the values of the quantities being measured as well as their uncertainties. Unfortunately, given that there are three main ways of calculating uncertainty, each suitable for particular situations (which is usually not explained in the lab manual), this is also an area that students feel highly confused about. It frequently generates large number of complaints in the end-of-the semester course evaluations. Students at some institutions are not asked to calculate uncertainty at all, which gives them a fall sense of the nature of experimental data. Taking advantage of the increased sophistication in the use of computers and spreadsheets that students are coming to college with, we have completely restructured our first Introductory Physics Lab to address this problem. Always in the context of a typical lab, we now systematically and sequentially introduce the various ways of calculating uncertainty including a theoretical understanding as opposed to a cookbook approach, all within the context of six three-hour labs. Complaints about the lab in student evaluations have dropped by 80%. * supported by a grant from A. V. Davis Foundation

Theoretical study of thorium monoxide for the electron electric dipole moment search: electronic properties of H(3)Δ(1) in ThO.

PubMed

Skripnikov, L V; Titov, A V

2015-01-14

Recently, improved limits on the electron electric dipole moment, and dimensionless constant, kT,P, characterizing the strength of the T,P-odd pseudoscalar-scalar electron-nucleus neutral current interaction in the H(3)Δ1 state of ThO molecule were obtained by the ACME collaboration [J. Baron et al., Science 343, 269 (2014)]. The interpretation of the experiment in terms of these fundamental quantities is based on the results of theoretical study of appropriate ThO characteristics, the effective electric field acting on electron, Eeff, and a parameter of the T,P-odd pseudoscalar-scalar interaction, WT,P, given in Skripnikov et al. [J. Chem. Phys. 139, 221103 (2013)] by St. Petersburg group. To reduce the uncertainties of the given limits, we report improved calculations of the molecular state-specific quantities Eeff, 81.5 GV/cm, and WT,P, 112 kHz, with the uncertainty within 7% of the magnitudes. Thus, the values recommended to use for the upper limits of the quantities are 75.8 GV/cm and 104 kHz, correspondingly. The hyperfine structure constant, molecule-frame dipole moment of the H(3)Δ1 state, and the H(3)Δ1 → X(1)Σ(+) transition energy which, in general, can serve as a measure of reliability of the obtained Eeff and WT,P values are also calculated. In addition, we report the first calculation of g-factor for the H(3)Δ1 state of ThO. The results are compared to the earlier experimental and theoretical studies, and a detailed analysis of uncertainties of the calculations is given.

Comparison of satellite-derived dynamical quantities for the stratosphere of the Southern Hemisphere

NASA Technical Reports Server (NTRS)

Miles, Thomas (Editor); Oneill, Alan (Editor)

1989-01-01

As part of the international Middle Atmosphere Program (MAP), a project was instituted to study the dynamics of the Middle Atmosphere in the Southern Hemisphere (MASH). A pre-MASH workshop was held with two aims: comparison of Southern Hemisphere dynamical quantities derived from various archives of satellite data; and assessing the impact of different base-level height information on such derived quantities. The dynamical quantities examined included geopotential height, zonal wind, potential vorticity, eddy heat and momentum fluxes, and Eliassen-Palm fluxes. It was found that while there was usually qualitative agreement between the different sets of fields, substantial quantitative differences were evident, particularly in high latitudes. The fidelity of the base-level analysis was found to be of prime importance in calculating derived quantities - especially the Eliassen-Palm flux divergence and potential vorticity. Improvements in base-level analyses are recommended. In particular, quality controls should be introduced to remove spurious localized features from analyses, and information from all Antarctic radiosondes should be utilized where possible. Caution in drawing quantitative inferences from satellite data for the middle atmosphere of the Southern Hemisphere is advised.

10 CFR 30.50 - Reporting requirements.

Code of Federal Regulations, 2010 CFR

2010-01-01

... requires unplanned medical treatment at a medical facility of an individual with spreadable radioactive... material or any device, container, or equipment containing licensed material when: (i) The quantity of... following: (i) A description of the event, including the probable cause and the manufacturer and model...

10 CFR 30.50 - Reporting requirements.

Code of Federal Regulations, 2011 CFR

2011-01-01

... requires unplanned medical treatment at a medical facility of an individual with spreadable radioactive... material or any device, container, or equipment containing licensed material when: (i) The quantity of... following: (i) A description of the event, including the probable cause and the manufacturer and model...

Evaluating bone quality in patients with chronic kidney disease

PubMed Central

Malluche, Hartmut H.; Porter, Daniel S.; Pienkowski, David

2013-01-01

Bone of normal quality and quantity can successfully endure physiologically imposed mechanical loads. Chronic kidney disease–mineral and bone disorder (CKD–MBD) adversely affects bone quality through alterations in bone turnover and mineralization, whereas bone quantity is affected through changes in bone volume. Changes in bone quality can be associated with altered bone material, structure, or microdamage, which can result in an elevated rate of fracture in patients with CKD–MBD. Fractures cannot always be explained by reduced bone quantity and, therefore, bone quality should be assessed with a variety of techniques from the macro-organ level to the nanoscale level. In this Review, we demonstrate the importance of evaluating bone from multiple perspectives and hierarchical levels to understand CKD–MBD-related abnormalities in bone quality. Understanding the relationships between variations in material, structure, microdamage, and mechanical properties of bone in patients with CKD–MBD should aid in the development of new modalities to prevent, or treat, these abnormalities. PMID:24100399

Magnetic field line random walk in two-dimensional dynamical turbulence

NASA Astrophysics Data System (ADS)

Wang, J. F.; Qin, G.; Ma, Q. M.; Song, T.; Yuan, S. B.

2017-08-01

The field line random walk (FLRW) of magnetic turbulence is one of the important topics in plasma physics and astrophysics. In this article, by using the field line tracing method, the mean square displacement (MSD) of FLRW is calculated on all possible length scales for pure two-dimensional turbulence with the damping dynamical model. We demonstrate that in order to describe FLRW with the damping dynamical model, a new dimensionless quantity R is needed to be introduced. On different length scales, dimensionless MSD shows different relationships with the dimensionless quantity R. Although the temporal effect affects the MSD of FLRW and even changes regimes of FLRW, it does not affect the relationship between the dimensionless MSD and dimensionless quantity R on all possible length scales.

10 CFR Appendix I to Part 73 - Category 1 and 2 Radioactive Materials

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Category 1 and 2 Radioactive Materials I Appendix I to.... 73, App. I Appendix I to Part 73—Category 1 and 2 Radioactive Materials Table I-1—Quantities of Concern Threshold Limits Radionuclides Category 1 Terabecquerels(TBq) Curies(Ci) 1 Category 2...

10 CFR Appendix I to Part 73 - Category 1 and 2 Radioactive Materials

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false Category 1 and 2 Radioactive Materials I Appendix I to.... 73, App. I Appendix I to Part 73—Category 1 and 2 Radioactive Materials Table I-1—Quantities of Concern Threshold Limits Radionuclides Category 1 Terabecquerels(TBq) Curies(Ci) 1 Category 2...

46 CFR 108.469 - Quantity of foam producing materials.

Code of Federal Regulations, 2012 CFR

2012-10-01

... at least 5 minutes at each outlet; and (2) In a space must have enough foam producing material to... or space, the system need have only enough foam producing material to cover the largest space that the system covers or, if the liquid surface of a tank covered by the system is larger, the tank with...

46 CFR 108.469 - Quantity of foam producing materials.

Code of Federal Regulations, 2011 CFR

2011-10-01

... at least 5 minutes at each outlet; and (2) In a space must have enough foam producing material to... or space, the system need have only enough foam producing material to cover the largest space that the system covers or, if the liquid surface of a tank covered by the system is larger, the tank with...